4-methyl-6-(3-methylcyclononyl)nonan-3-ol

C20H40O — CID 123945349

IUPAC4-methyl-6-(3-methylcyclononyl)nonan-3-ol
SMILESCCCC(CC(C)C(O)CC)C1CCCCCCC(C)C1
InChIInChI=1S/C20H40O/c1-5-11-18(15-17(4)20(21)6-2)19-13-10-8-7-9-12-16(3)14-19/h16-21H,5-15H2,1-4H3
InChIKeyLSZIKTLFOOZZBN-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.20
Rot. Bonds7

About 4-methyl-6-(3-methylcyclononyl)nonan-3-ol

4-methyl-6-(3-methylcyclononyl)nonan-3-ol (PubChem CID 123945349) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-methyl-6-(3-methylcyclononyl)nonan-3-ol.

Molecular Properties

Compound Name4-methyl-6-(3-methylcyclononyl)nonan-3-ol
PubChem CID123945349
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name4-methyl-6-(3-methylcyclononyl)nonan-3-ol
SMILESCCCC(CC(C)C(O)CC)C1CCCCCCC(C)C1
InChIInChI=1S/C20H40O/c1-5-11-18(15-17(4)20(21)6-2)19-13-10-8-7-9-12-16(3)14-19/h16-21H,5-15H2,1-4H3
InChIKeyLSZIKTLFOOZZBN-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-hexan-3-yl-3-methylcyclohexane
CID 143887329
2-(3-methylcyclohexyl)pentan-3-ol
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CID 103454489
1-methyl-3-(3-methylheptan-4-yl)cyclohexane
CID 147901007
[(4R)-2-methylheptan-4-yl]cyclohexane
CID 140562614
1-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
2-[(3R)-3-methylcyclohexyl]propane-1,3-diol;propane
CID 168973944
3-methyl-1-(3-methylcyclohexyl)hexan-1-amine
CID 63414986
4-cyclohexylhexan-2-ol
CID 11830109
1-methyl-3-(4-methylheptan-3-yl)cyclobutane
CID 123570171
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
CID 123406141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylcyclononyl)nonan-3-ol?
The IUPAC name of 4-methyl-6-(3-methylcyclononyl)nonan-3-ol (CID 123945349) is 4-methyl-6-(3-methylcyclononyl)nonan-3-ol.
What is the SMILES notation for 4-methyl-6-(3-methylcyclononyl)nonan-3-ol?
The canonical SMILES for 4-methyl-6-(3-methylcyclononyl)nonan-3-ol is CCCC(CC(C)C(O)CC)C1CCCCCCC(C)C1.
What is the InChIKey of 4-methyl-6-(3-methylcyclononyl)nonan-3-ol?
The InChIKey is LSZIKTLFOOZZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-5-11-18(15-17(4)20(21)6-2)19-13-10-8-7-9-12-16(3)14-19/h16-21H,5-15H2,1-4H3.
What are the key properties of 4-methyl-6-(3-methylcyclononyl)nonan-3-ol?
4-methyl-6-(3-methylcyclononyl)nonan-3-ol has a molecular weight of 296.54 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylcyclononyl)nonan-3-ol is sourced from PubChem (CID 123945349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).