3-methylidenetetradecan-5-ol

C15H30O — CID 115817490

IUPAC3-methylidenetetradecan-5-ol
SMILESC=C(CC)CC(O)CCCCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-15(16)13-14(3)5-2/h15-16H,3-13H2,1-2H3
InChIKeyLBYFQIGVDWGFOW-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds11

About 3-methylidenetetradecan-5-ol

3-methylidenetetradecan-5-ol (PubChem CID 115817490) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3-methylidenetetradecan-5-ol.

Molecular Properties

Compound Name3-methylidenetetradecan-5-ol
PubChem CID115817490
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3-methylidenetetradecan-5-ol
SMILESC=C(CC)CC(O)CCCCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-15(16)13-14(3)5-2/h15-16H,3-13H2,1-2H3
InChIKeyLBYFQIGVDWGFOW-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-methylidenedecan-5-ol
CID 118281319
2-chlorodec-1-en-4-ol
CID 11030613
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
octadecane-8,11-diol
CID 101412726
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of 3-methylidenetetradecan-5-ol?
The IUPAC name of 3-methylidenetetradecan-5-ol (CID 115817490) is 3-methylidenetetradecan-5-ol.
What is the SMILES notation for 3-methylidenetetradecan-5-ol?
The canonical SMILES for 3-methylidenetetradecan-5-ol is C=C(CC)CC(O)CCCCCCCCC.
What is the InChIKey of 3-methylidenetetradecan-5-ol?
The InChIKey is LBYFQIGVDWGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-15(16)13-14(3)5-2/h15-16H,3-13H2,1-2H3.
What are the key properties of 3-methylidenetetradecan-5-ol?
3-methylidenetetradecan-5-ol has a molecular weight of 226.40 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenetetradecan-5-ol is sourced from PubChem (CID 115817490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).