3-methyldecane-1,10-diol

C11H24O2 — CID 22596513

IUPAC3-methyldecane-1,10-diol
SMILESCC(CCO)CCCCCCCO
InChIInChI=1S/C11H24O2/c1-11(8-10-13)7-5-3-2-4-6-9-12/h11-13H,2-10H2,1H3
InChIKeyIVAVWMHMKCYKEQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.34
Rot. Bonds9

About 3-methyldecane-1,10-diol

3-methyldecane-1,10-diol (PubChem CID 22596513) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methyldecane-1,10-diol.

Molecular Properties

Compound Name3-methyldecane-1,10-diol
PubChem CID22596513
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methyldecane-1,10-diol
SMILESCC(CCO)CCCCCCCO
InChIInChI=1S/C11H24O2/c1-11(8-10-13)7-5-3-2-4-6-9-12/h11-13H,2-10H2,1H3
InChIKeyIVAVWMHMKCYKEQ-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

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CID 174818152
10-methylhexadecan-1-ol
CID 10244159
(3S)-3-methylnonacosan-1-ol
CID 10836783
6-methylhexadecan-1-ol
CID 22027437
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
(7R)-9-bromo-7-methylnonan-1-ol
CID 139766854
(4S,6S)-4,6,9-trimethyloctadecane-1,18-diol
CID 58388501
(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
CID 71733863
(5S)-5-methyloctan-1-ol
CID 14902476

Frequently Asked Questions

What is the IUPAC name of 3-methyldecane-1,10-diol?
The IUPAC name of 3-methyldecane-1,10-diol (CID 22596513) is 3-methyldecane-1,10-diol.
What is the SMILES notation for 3-methyldecane-1,10-diol?
The canonical SMILES for 3-methyldecane-1,10-diol is CC(CCO)CCCCCCCO.
What is the InChIKey of 3-methyldecane-1,10-diol?
The InChIKey is IVAVWMHMKCYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-11(8-10-13)7-5-3-2-4-6-9-12/h11-13H,2-10H2,1H3.
What are the key properties of 3-methyldecane-1,10-diol?
3-methyldecane-1,10-diol has a molecular weight of 188.31 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldecane-1,10-diol is sourced from PubChem (CID 22596513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).