(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol

C16H32O — CID 129109393

IUPAC(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol
SMILESCC1CCCCC1[C@@H](CCC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C16H32O/c1-12-8-6-7-9-14(12)15(13(2)17)10-11-16(3,4)5/h12-15,17H,6-11H2,1-5H3/t12?,13-,14?,15+/m1/s1
InChIKeyCGFCKOCHEDVVKJ-JYVUQVBGSA-N
MW240.43 g/mol
LogP4.64
Rot. Bonds4

About (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol

(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol (PubChem CID 129109393) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol.

Molecular Properties

Compound Name(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol
PubChem CID129109393
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol
SMILESCC1CCCCC1[C@@H](CCC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C16H32O/c1-12-8-6-7-9-14(12)15(13(2)17)10-11-16(3,4)5/h12-15,17H,6-11H2,1-5H3/t12?,13-,14?,15+/m1/s1
InChIKeyCGFCKOCHEDVVKJ-JYVUQVBGSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol?
The IUPAC name of (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol (CID 129109393) is (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol.
What is the SMILES notation for (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol?
The canonical SMILES for (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol is CC1CCCCC1[C@@H](CCC(C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol?
The InChIKey is CGFCKOCHEDVVKJ-JYVUQVBGSA-N. The full InChI is InChI=1S/C16H32O/c1-12-8-6-7-9-14(12)15(13(2)17)10-11-16(3,4)5/h12-15,17H,6-11H2,1-5H3/t12?,13-,14?,15+/m1/s1.
What are the key properties of (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol?
(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol has a molecular weight of 240.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol is sourced from PubChem (CID 129109393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).