2,3,4-trimethylhept-5-en-1-ol

C10H20O — CID 123346743

IUPAC2,3,4-trimethylhept-5-en-1-ol
SMILESCC=CC(C)C(C)C(C)CO
InChIInChI=1S/C10H20O/c1-5-6-8(2)10(4)9(3)7-11/h5-6,8-11H,7H2,1-4H3
InChIKeyWHPBGQTYJKSDDO-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.46
Rot. Bonds4

About 2,3,4-trimethylhept-5-en-1-ol

2,3,4-trimethylhept-5-en-1-ol (PubChem CID 123346743) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3,4-trimethylhept-5-en-1-ol.

Molecular Properties

Compound Name2,3,4-trimethylhept-5-en-1-ol
PubChem CID123346743
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,3,4-trimethylhept-5-en-1-ol
SMILESCC=CC(C)C(C)C(C)CO
InChIInChI=1S/C10H20O/c1-5-6-8(2)10(4)9(3)7-11/h5-6,8-11H,7H2,1-4H3
InChIKeyWHPBGQTYJKSDDO-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
2,3-dimethylbutan-1-ol;ethane;fluoromethane
CID 143378168
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
3,4-dimethylpentane-1,2,5-triol
CID 91805402
(E,2S)-2-aminopent-3-en-1-ol
CID 55283755
pent-3-ene-1,2-diol;hydrochloride
CID 141276135
(E)-4,5-dimethyloct-6-enoic acid
CID 155168801
(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene
CID 155470137
(E)-2-methylhept-5-ene-1,4-diol
CID 10606868
(2S,3S)-2,3,5-trimethylhex-4-en-1-ol
CID 118549067
2,3-dimethylhexane-1,4-diol
CID 57128275

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylhept-5-en-1-ol?
The IUPAC name of 2,3,4-trimethylhept-5-en-1-ol (CID 123346743) is 2,3,4-trimethylhept-5-en-1-ol.
What is the SMILES notation for 2,3,4-trimethylhept-5-en-1-ol?
The canonical SMILES for 2,3,4-trimethylhept-5-en-1-ol is CC=CC(C)C(C)C(C)CO.
What is the InChIKey of 2,3,4-trimethylhept-5-en-1-ol?
The InChIKey is WHPBGQTYJKSDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-6-8(2)10(4)9(3)7-11/h5-6,8-11H,7H2,1-4H3.
What are the key properties of 2,3,4-trimethylhept-5-en-1-ol?
2,3,4-trimethylhept-5-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylhept-5-en-1-ol is sourced from PubChem (CID 123346743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).