7,8-dimethylnonan-1-ol

C11H24O — CID 87272618

IUPAC7,8-dimethylnonan-1-ol
SMILESCC(C)C(C)CCCCCCO
InChIInChI=1S/C11H24O/c1-10(2)11(3)8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyVPWMGKKMZNCRFL-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds7

About 7,8-dimethylnonan-1-ol

7,8-dimethylnonan-1-ol (PubChem CID 87272618) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 7,8-dimethylnonan-1-ol.

Molecular Properties

Compound Name7,8-dimethylnonan-1-ol
PubChem CID87272618
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name7,8-dimethylnonan-1-ol
SMILESCC(C)C(C)CCCCCCO
InChIInChI=1S/C11H24O/c1-10(2)11(3)8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyVPWMGKKMZNCRFL-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
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

10,11-dimethyldodecan-1-ol
CID 174615495
9-methyldecane-1,8-diol
CID 107094660
7-methyloctane-1,6-diol
CID 54253773
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
(10S)-undecane-1,10-diol
CID 129382222
CID 172760633
CID 172760633
16-methylheptadecan-1-ol;titanium
CID 151630620
8,12-dimethylicosane-1,20-diol
CID 170848864
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
alumane;6-methylheptan-1-ol
CID 174615736
2,3-dimethylnonacosane
CID 71331945

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylnonan-1-ol?
The IUPAC name of 7,8-dimethylnonan-1-ol (CID 87272618) is 7,8-dimethylnonan-1-ol.
What is the SMILES notation for 7,8-dimethylnonan-1-ol?
The canonical SMILES for 7,8-dimethylnonan-1-ol is CC(C)C(C)CCCCCCO.
What is the InChIKey of 7,8-dimethylnonan-1-ol?
The InChIKey is VPWMGKKMZNCRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-10(2)11(3)8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 7,8-dimethylnonan-1-ol?
7,8-dimethylnonan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylnonan-1-ol is sourced from PubChem (CID 87272618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).