2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol

C14H28O — CID 65424304

IUPAC2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
SMILESCCCC1CCC(C(O)C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-6-11-7-9-12(10-8-11)13(15)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyCUBXRUFRQOBHTE-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds3

About 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol

2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol (PubChem CID 65424304) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
PubChem CID65424304
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
SMILESCCCC1CCC(C(O)C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-6-11-7-9-12(10-8-11)13(15)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyCUBXRUFRQOBHTE-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol (CID 65424304) is 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol is CCCC1CCC(C(O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol?
The InChIKey is CUBXRUFRQOBHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-11-7-9-12(10-8-11)13(15)14(2,3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol?
2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol is sourced from PubChem (CID 65424304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).