2-methylidenepentadecan-1-ol

C16H32O — CID 10847661

IUPAC2-methylidenepentadecan-1-ol
SMILESC=C(CO)CCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)15-17/h17H,2-15H2,1H3
InChIKeyWVMHMUYKMZBQSS-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.24
Rot. Bonds13

About 2-methylidenepentadecan-1-ol

2-methylidenepentadecan-1-ol (PubChem CID 10847661) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-methylidenepentadecan-1-ol.

Molecular Properties

Compound Name2-methylidenepentadecan-1-ol
PubChem CID10847661
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2-methylidenepentadecan-1-ol
SMILESC=C(CO)CCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)15-17/h17H,2-15H2,1H3
InChIKeyWVMHMUYKMZBQSS-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.24
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

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane
CID 173410299
methanediol;nonane
CID 159588378
2-bromotetradec-1-ene
CID 2757183
henicos-1-en-2-ol
CID 90735098
N-methyl-2-methylidenedecan-1-amine
CID 126493414
4-methylidenedodec-1-yne
CID 57132185

Frequently Asked Questions

What is the IUPAC name of 2-methylidenepentadecan-1-ol?
The IUPAC name of 2-methylidenepentadecan-1-ol (CID 10847661) is 2-methylidenepentadecan-1-ol.
What is the SMILES notation for 2-methylidenepentadecan-1-ol?
The canonical SMILES for 2-methylidenepentadecan-1-ol is C=C(CO)CCCCCCCCCCCCC.
What is the InChIKey of 2-methylidenepentadecan-1-ol?
The InChIKey is WVMHMUYKMZBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)15-17/h17H,2-15H2,1H3.
What are the key properties of 2-methylidenepentadecan-1-ol?
2-methylidenepentadecan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 5.24, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepentadecan-1-ol is sourced from PubChem (CID 10847661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).