2,3-dimethylhept-3-en-2-ol

C9H18O — CID 175454494

IUPAC2,3-dimethylhept-3-en-2-ol
SMILESCCCC=C(C)C(C)(C)O
InChIInChI=1S/C9H18O/c1-5-6-7-8(2)9(3,4)10/h7,10H,5-6H2,1-4H3
InChIKeyHQSGSAOXRZTIQG-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds3

About 2,3-dimethylhept-3-en-2-ol

2,3-dimethylhept-3-en-2-ol (PubChem CID 175454494) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,3-dimethylhept-3-en-2-ol.

Molecular Properties

Compound Name2,3-dimethylhept-3-en-2-ol
PubChem CID175454494
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,3-dimethylhept-3-en-2-ol
SMILESCCCC=C(C)C(C)(C)O
InChIInChI=1S/C9H18O/c1-5-6-7-8(2)9(3,4)10/h7,10H,5-6H2,1-4H3
InChIKeyHQSGSAOXRZTIQG-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
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

2,2,3-trimethylhept-3-ene
CID 73411222
2,3-dimethyltrideca-3,8-dien-2-ol
CID 173250349
1,1,1-trifluoro-2-methylhex-2-ene
CID 54402325
(Z)-2,3-dimethylpent-3-en-2-ol
CID 173496054
(E)-3-tert-butylhept-3-en-2-one
CID 121216608
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
(E)-2-chlorohex-2-ene
CID 19796923
(Z)-4-fluoro-3,3-dimethyloct-4-ene
CID 170342659
(E)-4-tert-butyloct-4-ene
CID 140632550
pent-1-ene-1,1-diol
CID 21473005
(2Z,4Z)-4-aminoocta-2,4-dien-2-ol
CID 142871963
N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
CID 126735392

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhept-3-en-2-ol?
The IUPAC name of 2,3-dimethylhept-3-en-2-ol (CID 175454494) is 2,3-dimethylhept-3-en-2-ol.
What is the SMILES notation for 2,3-dimethylhept-3-en-2-ol?
The canonical SMILES for 2,3-dimethylhept-3-en-2-ol is CCCC=C(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethylhept-3-en-2-ol?
The InChIKey is HQSGSAOXRZTIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-6-7-8(2)9(3,4)10/h7,10H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethylhept-3-en-2-ol?
2,3-dimethylhept-3-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhept-3-en-2-ol is sourced from PubChem (CID 175454494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).