1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane

C23H48O — CID 174904279

IUPAC1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane
SMILESCC1(O)CCCCCC1.CCC(C)CCC(C)CCCCC(C)C
InChIInChI=1S/C15H32.C8H16O/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3;1-8(9)6-4-2-3-5-7-8/h13-15H,6-12H2,1-5H3;9H,2-7H2,1H3
InChIKeyVPRNGVLACWFUGY-UHFFFAOYSA-N
MW340.64 g/mol
LogP7.76
Rot. Bonds9

About 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane

1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane (PubChem CID 174904279) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane.

Molecular Properties

Compound Name1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane
PubChem CID174904279
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane
SMILESCC1(O)CCCCCC1.CCC(C)CCC(C)CCCCC(C)C
InChIInChI=1S/C15H32.C8H16O/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3;1-8(9)6-4-2-3-5-7-8/h13-15H,6-12H2,1-5H3;9H,2-7H2,1H3
InChIKeyVPRNGVLACWFUGY-UHFFFAOYSA-N
XLogP7.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 146687678
(1E,3E,5S,8S)-8,12-dimethyl-1-(1-methylcyclohexyl)trideca-1,3-dien-5-ol
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4,7-dimethylnonan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane?
The IUPAC name of 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane (CID 174904279) is 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane.
What is the SMILES notation for 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane?
The canonical SMILES for 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane is CC1(O)CCCCCC1.CCC(C)CCC(C)CCCCC(C)C.
What is the InChIKey of 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane?
The InChIKey is VPRNGVLACWFUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C8H16O/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3;1-8(9)6-4-2-3-5-7-8/h13-15H,6-12H2,1-5H3;9H,2-7H2,1H3.
What are the key properties of 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane?
1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane has a molecular weight of 340.64 g/mol, XLogP of 7.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcycloheptan-1-ol;2,7,10-trimethyldodecane is sourced from PubChem (CID 174904279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).