3-cyclohexyl-2,5-dimethylnonan-3-ol

C17H34O — CID 170160777

IUPAC3-cyclohexyl-2,5-dimethylnonan-3-ol
SMILESCCCCC(C)CC(O)(C(C)C)C1CCCCC1
InChIInChI=1S/C17H34O/c1-5-6-10-15(4)13-17(18,14(2)3)16-11-8-7-9-12-16/h14-16,18H,5-13H2,1-4H3
InChIKeyIVMQSGOSHMAQIA-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.17
Rot. Bonds7

About 3-cyclohexyl-2,5-dimethylnonan-3-ol

3-cyclohexyl-2,5-dimethylnonan-3-ol (PubChem CID 170160777) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-cyclohexyl-2,5-dimethylnonan-3-ol.

Molecular Properties

Compound Name3-cyclohexyl-2,5-dimethylnonan-3-ol
PubChem CID170160777
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name3-cyclohexyl-2,5-dimethylnonan-3-ol
SMILESCCCCC(C)CC(O)(C(C)C)C1CCCCC1
InChIInChI=1S/C17H34O/c1-5-6-10-15(4)13-17(18,14(2)3)16-11-8-7-9-12-16/h14-16,18H,5-13H2,1-4H3
InChIKeyIVMQSGOSHMAQIA-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,5-dimethylnonan-3-ol?
The IUPAC name of 3-cyclohexyl-2,5-dimethylnonan-3-ol (CID 170160777) is 3-cyclohexyl-2,5-dimethylnonan-3-ol.
What is the SMILES notation for 3-cyclohexyl-2,5-dimethylnonan-3-ol?
The canonical SMILES for 3-cyclohexyl-2,5-dimethylnonan-3-ol is CCCCC(C)CC(O)(C(C)C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2,5-dimethylnonan-3-ol?
The InChIKey is IVMQSGOSHMAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-6-10-15(4)13-17(18,14(2)3)16-11-8-7-9-12-16/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 3-cyclohexyl-2,5-dimethylnonan-3-ol?
3-cyclohexyl-2,5-dimethylnonan-3-ol has a molecular weight of 254.46 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,5-dimethylnonan-3-ol is sourced from PubChem (CID 170160777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).