(3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol

C15H28O2 — CID 80685818

IUPAC(3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol
SMILESCC1CC(C)CC(C(O)C2(C)CCCCO2)C1
InChIInChI=1S/C15H28O2/c1-11-8-12(2)10-13(9-11)14(16)15(3)6-4-5-7-17-15/h11-14,16H,4-10H2,1-3H3
InChIKeyIEFCCIGQIHAOBB-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol

(3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol (PubChem CID 80685818) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol
PubChem CID80685818
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol
SMILESCC1CC(C)CC(C(O)C2(C)CCCCO2)C1
InChIInChI=1S/C15H28O2/c1-11-8-12(2)10-13(9-11)14(16)15(3)6-4-5-7-17-15/h11-14,16H,4-10H2,1-3H3
InChIKeyIEFCCIGQIHAOBB-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol (CID 80685818) is (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol is CC1CC(C)CC(C(O)C2(C)CCCCO2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol?
The InChIKey is IEFCCIGQIHAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11-8-12(2)10-13(9-11)14(16)15(3)6-4-5-7-17-15/h11-14,16H,4-10H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol?
(3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol has a molecular weight of 240.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol is sourced from PubChem (CID 80685818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).