7-methylpentadec-1-en-1-ol

C16H32O — CID 73444585

IUPAC7-methylpentadec-1-en-1-ol
SMILESCCCCCCCCC(C)CCCCC=CO
InChIInChI=1S/C16H32O/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyQGZJKKCUIZSXBI-UHFFFAOYSA-N
MW240.43 g/mol
LogP6.01
Rot. Bonds12

About 7-methylpentadec-1-en-1-ol

7-methylpentadec-1-en-1-ol (PubChem CID 73444585) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 7-methylpentadec-1-en-1-ol.

Molecular Properties

Compound Name7-methylpentadec-1-en-1-ol
PubChem CID73444585
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name7-methylpentadec-1-en-1-ol
SMILESCCCCCCCCC(C)CCCCC=CO
InChIInChI=1S/C16H32O/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyQGZJKKCUIZSXBI-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-7-methylpentadec-1-en-1-ol
CID 18427313
7-methyldodec-1-en-1-ol
CID 73437355
12-methylicos-6-ene
CID 91498266
(E)-13-methyltetracos-6-ene
CID 173194183
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
(E)-pentacos-1-en-1-ol
CID 135335589
(Z)-pentadec-1-en-1-ol
CID 135331786
(E)-20-methyloctacos-4-ene
CID 173194294
(1E)-octadeca-1,11-dien-1-ol
CID 138611647
(E)-10,15-dimethyltricos-3-ene
CID 173194599
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271

Frequently Asked Questions

What is the IUPAC name of 7-methylpentadec-1-en-1-ol?
The IUPAC name of 7-methylpentadec-1-en-1-ol (CID 73444585) is 7-methylpentadec-1-en-1-ol.
What is the SMILES notation for 7-methylpentadec-1-en-1-ol?
The canonical SMILES for 7-methylpentadec-1-en-1-ol is CCCCCCCCC(C)CCCCC=CO.
What is the InChIKey of 7-methylpentadec-1-en-1-ol?
The InChIKey is QGZJKKCUIZSXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17/h12,15-17H,3-11,13-14H2,1-2H3.
What are the key properties of 7-methylpentadec-1-en-1-ol?
7-methylpentadec-1-en-1-ol has a molecular weight of 240.43 g/mol, XLogP of 6.01, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpentadec-1-en-1-ol is sourced from PubChem (CID 73444585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).