3,6-dimethylnonan-4-ol

C11H24O — CID 56626033

IUPAC3,6-dimethylnonan-4-ol
SMILESCCCC(C)CC(O)C(C)CC
InChIInChI=1S/C11H24O/c1-5-7-9(3)8-11(12)10(4)6-2/h9-12H,5-8H2,1-4H3
InChIKeyKFRPRHQVKQTVGX-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds6

About 3,6-dimethylnonan-4-ol

3,6-dimethylnonan-4-ol (PubChem CID 56626033) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3,6-dimethylnonan-4-ol.

Molecular Properties

Compound Name3,6-dimethylnonan-4-ol
PubChem CID56626033
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3,6-dimethylnonan-4-ol
SMILESCCCC(C)CC(O)C(C)CC
InChIInChI=1S/C11H24O/c1-5-7-9(3)8-11(12)10(4)6-2/h9-12H,5-8H2,1-4H3
InChIKeyKFRPRHQVKQTVGX-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

5-methyloctan-3-ol
CID 19931017
4-methoxy-7-methyldecan-5-ol
CID 116711734
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
(4R)-4-methylheptan-3-ol
CID 12799251
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
4,5,7-trimethyldecane
CID 57490926
3,5,7,9-tetramethyldodecane
CID 91047062
1-(2-methylpentoxy)ethanol
CID 173285010
3,4,5,9-tetramethyl-7-propyldodecane
CID 91586333
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
1-ethoxy-5-methyloctan-3-ol
CID 105089791

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylnonan-4-ol?
The IUPAC name of 3,6-dimethylnonan-4-ol (CID 56626033) is 3,6-dimethylnonan-4-ol.
What is the SMILES notation for 3,6-dimethylnonan-4-ol?
The canonical SMILES for 3,6-dimethylnonan-4-ol is CCCC(C)CC(O)C(C)CC.
What is the InChIKey of 3,6-dimethylnonan-4-ol?
The InChIKey is KFRPRHQVKQTVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-7-9(3)8-11(12)10(4)6-2/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,6-dimethylnonan-4-ol?
3,6-dimethylnonan-4-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylnonan-4-ol is sourced from PubChem (CID 56626033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).