3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol

C17H26O — CID 116542580

IUPAC3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
SMILESCCCc1cccc(C2(O)CCCC(C)(C)C2)c1
InChIInChI=1S/C17H26O/c1-4-7-14-8-5-9-15(12-14)17(18)11-6-10-16(2,3)13-17/h5,8-9,12,18H,4,6-7,10-11,13H2,1-3H3
InChIKeySIYCTUQSNVQKKO-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.43
Rot. Bonds3

About 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol

3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol (PubChem CID 116542580) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
PubChem CID116542580
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
SMILESCCCc1cccc(C2(O)CCCC(C)(C)C2)c1
InChIInChI=1S/C17H26O/c1-4-7-14-8-5-9-15(12-14)17(18)11-6-10-16(2,3)13-17/h5,8-9,12,18H,4,6-7,10-11,13H2,1-3H3
InChIKeySIYCTUQSNVQKKO-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol (CID 116542580) is 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol is CCCc1cccc(C2(O)CCCC(C)(C)C2)c1.
What is the InChIKey of 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol?
The InChIKey is SIYCTUQSNVQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-7-14-8-5-9-15(12-14)17(18)11-6-10-16(2,3)13-17/h5,8-9,12,18H,4,6-7,10-11,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol?
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 116542580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).