4,8-dimethylnonan-1-ol

C11H24O — CID 549996

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

About 4,8-dimethylnonan-1-ol

4,8-dimethylnonan-1-ol (PubChem CID 549996) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4,8-dimethylnonan-1-ol.

Molecular Properties

Compound Name4,8-dimethylnonan-1-ol
PubChem CID549996
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4,8-dimethylnonan-1-ol
SMILESCC(C)CCCC(C)CCCO
InChIInChI=1S/C11H24O/c1-10(2)6-4-7-11(3)8-5-9-12/h10-12H,4-9H2,1-3H3
InChIKeyASDSWUHLJCTXPE-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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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylnonan-1-ol?
The IUPAC name of 4,8-dimethylnonan-1-ol (CID 549996) is 4,8-dimethylnonan-1-ol.
What is the SMILES notation for 4,8-dimethylnonan-1-ol?
The canonical SMILES for 4,8-dimethylnonan-1-ol is CC(C)CCCC(C)CCCO.
What is the InChIKey of 4,8-dimethylnonan-1-ol?
The InChIKey is ASDSWUHLJCTXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-10(2)6-4-7-11(3)8-5-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 4,8-dimethylnonan-1-ol?
4,8-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 4,8-dimethylnonan-1-ol is sourced from PubChem (CID 549996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).