9-methyldecane-1,8-diol

C11H24O2 — CID 107094660

IUPAC9-methyldecane-1,8-diol
SMILESCC(C)C(O)CCCCCCCO
InChIInChI=1S/C11H24O2/c1-10(2)11(13)8-6-4-3-5-7-9-12/h10-13H,3-9H2,1-2H3
InChIKeyJRJIGZQFKSSJPC-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.34
Rot. Bonds8

About 9-methyldecane-1,8-diol

9-methyldecane-1,8-diol (PubChem CID 107094660) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 9-methyldecane-1,8-diol.

Molecular Properties

Compound Name9-methyldecane-1,8-diol
PubChem CID107094660
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name9-methyldecane-1,8-diol
SMILESCC(C)C(O)CCCCCCCO
InChIInChI=1S/C11H24O2/c1-10(2)11(13)8-6-4-3-5-7-9-12/h10-13H,3-9H2,1-2H3
InChIKeyJRJIGZQFKSSJPC-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyloctane-1,6-diol
CID 54253773
tridecane-1,4,5,13-tetrol
CID 57164237
dodecane-1,6,7,11-tetrol
CID 88790738
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
9-bromodecan-1-ol
CID 18177035
8-bromononan-1-ol
CID 18177005
7,8-dimethylnonan-1-ol
CID 87272618
nonane-1,2,3,9-tetrol
CID 87488161
10,11-dimethyldodecan-1-ol
CID 174615495
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493

Frequently Asked Questions

What is the IUPAC name of 9-methyldecane-1,8-diol?
The IUPAC name of 9-methyldecane-1,8-diol (CID 107094660) is 9-methyldecane-1,8-diol.
What is the SMILES notation for 9-methyldecane-1,8-diol?
The canonical SMILES for 9-methyldecane-1,8-diol is CC(C)C(O)CCCCCCCO.
What is the InChIKey of 9-methyldecane-1,8-diol?
The InChIKey is JRJIGZQFKSSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(2)11(13)8-6-4-3-5-7-9-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 9-methyldecane-1,8-diol?
9-methyldecane-1,8-diol has a molecular weight of 188.31 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldecane-1,8-diol is sourced from PubChem (CID 107094660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).