2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol

C108H216O8 — CID 158250058

IUPAC2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(C(C)(C)C)C(O)C1.CC(C)(C)C1CCC(O)C(C(C)(C)C)C1.CC(C)(C)C1CCCC(C(C)(C)C)C1O.CC(C)C1CCC(O)C(C(C)C)C1.CC(C)C1CCCC(C(C)C)C1O.CCCCC1CCC(CCCC)C(O)C1.CCCCC1CCC(O)C(CCCC)C1.CCCCC1CCCC(O)C1CCCC
InChIInChI=1S/6C14H28O.2C12H24O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2;1-3-5-7-12-9-10-14(15)13(11-12)8-6-4-2;1-3-5-7-12-9-10-13(8-6-4-2)14(15)11-12;1-8(2)10-5-6-12(13)11(7-10)9(3)4;1-8(2)10-6-5-7-11(9(3)4)12(10)13/h3*10-12,15H,7-9H2,1-6H3;3*12-15H,3-11H2,1-2H3;2*8-13H,5-7H2,1-4H3
InChIKeyGGPJSHPLBCJBFR-UHFFFAOYSA-N
MW1642.91 g/mol
LogP30.15
Rot. Bonds22

About 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol

2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol (PubChem CID 158250058) has the molecular formula C108H216O8 and a molecular weight of 1642.91 g/mol. Its IUPAC name is 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol
PubChem CID158250058
Molecular FormulaC108H216O8
Molecular Weight1642.91 g/mol
Exact Mass1641.65
IUPAC Name2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(C(C)(C)C)C(O)C1.CC(C)(C)C1CCC(O)C(C(C)(C)C)C1.CC(C)(C)C1CCCC(C(C)(C)C)C1O.CC(C)C1CCC(O)C(C(C)C)C1.CC(C)C1CCCC(C(C)C)C1O.CCCCC1CCC(CCCC)C(O)C1.CCCCC1CCC(O)C(CCCC)C1.CCCCC1CCCC(O)C1CCCC
InChIInChI=1S/6C14H28O.2C12H24O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2;1-3-5-7-12-9-10-14(15)13(11-12)8-6-4-2;1-3-5-7-12-9-10-13(8-6-4-2)14(15)11-12;1-8(2)10-5-6-12(13)11(7-10)9(3)4;1-8(2)10-6-5-7-11(9(3)4)12(10)13/h3*10-12,15H,7-9H2,1-6H3;3*12-15H,3-11H2,1-2H3;2*8-13H,5-7H2,1-4H3
InChIKeyGGPJSHPLBCJBFR-UHFFFAOYSA-N
XLogP30.15
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.91
LogP ≤ 530.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol (CID 158250058) is 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol is CC(C)(C)C1CCC(C(C)(C)C)C(O)C1.CC(C)(C)C1CCC(O)C(C(C)(C)C)C1.CC(C)(C)C1CCCC(C(C)(C)C)C1O.CC(C)C1CCC(O)C(C(C)C)C1.CC(C)C1CCCC(C(C)C)C1O.CCCCC1CCC(CCCC)C(O)C1.CCCCC1CCC(O)C(CCCC)C1.CCCCC1CCCC(O)C1CCCC.
What is the InChIKey of 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol?
The InChIKey is GGPJSHPLBCJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H28O.2C12H24O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2;1-3-5-7-12-9-10-14(15)13(11-12)8-6-4-2;1-3-5-7-12-9-10-13(8-6-4-2)14(15)11-12;1-8(2)10-5-6-12(13)11(7-10)9(3)4;1-8(2)10-6-5-7-11(9(3)4)12(10)13/h3*10-12,15H,7-9H2,1-6H3;3*12-15H,3-11H2,1-2H3;2*8-13H,5-7H2,1-4H3.
What are the key properties of 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol?
2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol has a molecular weight of 1642.91 g/mol, XLogP of 30.15, 22 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutylcyclohexan-1-ol;2,4-dibutylcyclohexan-1-ol;2,4-ditert-butylcyclohexan-1-ol;2,5-dibutylcyclohexan-1-ol;2,5-ditert-butylcyclohexan-1-ol;2,6-ditert-butylcyclohexan-1-ol;2,4-di(propan-2-yl)cyclohexan-1-ol;2,6-di(propan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 158250058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).