4,7-dimethylnonan-1-ol

C11H24O — CID 87272409

IUPAC4,7-dimethylnonan-1-ol
SMILESCCC(C)CCC(C)CCCO
InChIInChI=1S/C11H24O/c1-4-10(2)7-8-11(3)6-5-9-12/h10-12H,4-9H2,1-3H3
InChIKeyHSEROZAIZCRTDJ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds7

About 4,7-dimethylnonan-1-ol

4,7-dimethylnonan-1-ol (PubChem CID 87272409) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4,7-dimethylnonan-1-ol.

Molecular Properties

Compound Name4,7-dimethylnonan-1-ol
PubChem CID87272409
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4,7-dimethylnonan-1-ol
SMILESCCC(C)CCC(C)CCCO
InChIInChI=1S/C11H24O/c1-4-10(2)7-8-11(3)6-5-9-12/h10-12H,4-9H2,1-3H3
InChIKeyHSEROZAIZCRTDJ-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

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Related Compounds

(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
(11S)-11-methyltridecan-1-ol
CID 71389600
(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
14-methylhexadecan-1-ol
CID 5283264
(4S,6S)-4,6-dimethyloctan-1-ol
CID 92950690
(3R,6S)-3,6-dimethyldecane
CID 170848353
4-methyloctan-1-ol;propan-2-ol
CID 18620283
(3R,7R)-3,7-dimethylnonane
CID 42626759
6-iodo-4-methylhexan-1-ol
CID 139625699
(4S,6S)-4,6,9-trimethyloctadecane-1,18-diol
CID 58388501
acetic acid;9-methylundecan-1-ol
CID 71407241

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylnonan-1-ol?
The IUPAC name of 4,7-dimethylnonan-1-ol (CID 87272409) is 4,7-dimethylnonan-1-ol.
What is the SMILES notation for 4,7-dimethylnonan-1-ol?
The canonical SMILES for 4,7-dimethylnonan-1-ol is CCC(C)CCC(C)CCCO.
What is the InChIKey of 4,7-dimethylnonan-1-ol?
The InChIKey is HSEROZAIZCRTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-4-10(2)7-8-11(3)6-5-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 4,7-dimethylnonan-1-ol?
4,7-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 4,7-dimethylnonan-1-ol is sourced from PubChem (CID 87272409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).