3-methyldec-3-en-1-ol

C11H22O — CID 78409313

IUPAC3-methyldec-3-en-1-ol
SMILESCCCCCCC=C(C)CCO
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h8,12H,3-7,9-10H2,1-2H3
InChIKeyIIHSHWXQNLODTC-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.29
Rot. Bonds7

About 3-methyldec-3-en-1-ol

3-methyldec-3-en-1-ol (PubChem CID 78409313) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methyldec-3-en-1-ol.

Molecular Properties

Compound Name3-methyldec-3-en-1-ol
PubChem CID78409313
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-methyldec-3-en-1-ol
SMILESCCCCCCC=C(C)CCO
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h8,12H,3-7,9-10H2,1-2H3
InChIKeyIIHSHWXQNLODTC-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.29
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

(E)-3-methyldec-3-en-1-ol
CID 6428571
4-methylhexadec-4-ene
CID 174447790
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol
CID 21326788
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of 3-methyldec-3-en-1-ol?
The IUPAC name of 3-methyldec-3-en-1-ol (CID 78409313) is 3-methyldec-3-en-1-ol.
What is the SMILES notation for 3-methyldec-3-en-1-ol?
The canonical SMILES for 3-methyldec-3-en-1-ol is CCCCCCC=C(C)CCO.
What is the InChIKey of 3-methyldec-3-en-1-ol?
The InChIKey is IIHSHWXQNLODTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h8,12H,3-7,9-10H2,1-2H3.
What are the key properties of 3-methyldec-3-en-1-ol?
3-methyldec-3-en-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldec-3-en-1-ol is sourced from PubChem (CID 78409313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).