2-methyl-3-propyldecane-1,10-diol

C14H30O2 — CID 87292989

IUPAC2-methyl-3-propyldecane-1,10-diol
SMILESCCCC(CCCCCCCO)C(C)CO
InChIInChI=1S/C14H30O2/c1-3-9-14(13(2)12-16)10-7-5-4-6-8-11-15/h13-16H,3-12H2,1-2H3
InChIKeyDZUVLOWJOLCEIB-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.36
Rot. Bonds11

About 2-methyl-3-propyldecane-1,10-diol

2-methyl-3-propyldecane-1,10-diol (PubChem CID 87292989) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-methyl-3-propyldecane-1,10-diol.

Molecular Properties

Compound Name2-methyl-3-propyldecane-1,10-diol
PubChem CID87292989
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-methyl-3-propyldecane-1,10-diol
SMILESCCCC(CCCCCCCO)C(C)CO
InChIInChI=1S/C14H30O2/c1-3-9-14(13(2)12-16)10-7-5-4-6-8-11-15/h13-16H,3-12H2,1-2H3
InChIKeyDZUVLOWJOLCEIB-UHFFFAOYSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.36
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

2-pentan-2-ylnonan-1-ol
CID 23316007
5-ethyl-6-methyloctan-1-ol
CID 89076022
3-octyl-4-propylhexane-1,6-diol
CID 154092864
(2S)-2-propylheptane-1,7-diol
CID 118890038
(5S)-5-methyloctan-1-ol
CID 14902476
4-butan-2-yloctan-1-ol
CID 57029732
5-ethyl-6-methylheptan-1-ol
CID 91402591
tetradecane-1,11-diol
CID 11390599
7-methylpentadecan-1-ol
CID 18427312
6-methylhexadecan-1-ol
CID 22027437
10-methylhexadecan-1-ol
CID 10244159
9-methylhexadecan-1-ol
CID 22027455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyldecane-1,10-diol?
The IUPAC name of 2-methyl-3-propyldecane-1,10-diol (CID 87292989) is 2-methyl-3-propyldecane-1,10-diol.
What is the SMILES notation for 2-methyl-3-propyldecane-1,10-diol?
The canonical SMILES for 2-methyl-3-propyldecane-1,10-diol is CCCC(CCCCCCCO)C(C)CO.
What is the InChIKey of 2-methyl-3-propyldecane-1,10-diol?
The InChIKey is DZUVLOWJOLCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-3-9-14(13(2)12-16)10-7-5-4-6-8-11-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-methyl-3-propyldecane-1,10-diol?
2-methyl-3-propyldecane-1,10-diol has a molecular weight of 230.39 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyldecane-1,10-diol is sourced from PubChem (CID 87292989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).