4,4-dimethylhept-6-en-3-ol

C9H18O — CID 74440422

IUPAC4,4-dimethylhept-6-en-3-ol
SMILESC=CCC(C)(C)C(O)CC
InChIInChI=1S/C9H18O/c1-5-7-9(3,4)8(10)6-2/h5,8,10H,1,6-7H2,2-4H3
InChIKeyJQOYNBMPLXOFSX-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds4

About 4,4-dimethylhept-6-en-3-ol

4,4-dimethylhept-6-en-3-ol (PubChem CID 74440422) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4,4-dimethylhept-6-en-3-ol.

Molecular Properties

Compound Name4,4-dimethylhept-6-en-3-ol
PubChem CID74440422
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4,4-dimethylhept-6-en-3-ol
SMILESC=CCC(C)(C)C(O)CC
InChIInChI=1S/C9H18O/c1-5-7-9(3,4)8(10)6-2/h5,8,10H,1,6-7H2,2-4H3
InChIKeyJQOYNBMPLXOFSX-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

ethyl (2S)-2-[(1R)-1-hydroxypropyl]-2-methylpent-4-enoate
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4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
(3S)-2,2-dimethylhex-5-ene-1,3-diol
CID 53235915
1-hydroxypropyl 2-methyl-2-prop-2-enylpent-4-enoate
CID 174488664
4,4-dimethylhexadecan-3-ol
CID 168719984
3-ethyl-2,2-dimethylhexane-3,4-diol
CID 174496301
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
4-propyloct-7-ene-3,4-diol
CID 57028437
N-ethenyl-3,4,4-trimethylhepta-1,6-dien-2-amine
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2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol
CID 88870818

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylhept-6-en-3-ol?
The IUPAC name of 4,4-dimethylhept-6-en-3-ol (CID 74440422) is 4,4-dimethylhept-6-en-3-ol.
What is the SMILES notation for 4,4-dimethylhept-6-en-3-ol?
The canonical SMILES for 4,4-dimethylhept-6-en-3-ol is C=CCC(C)(C)C(O)CC.
What is the InChIKey of 4,4-dimethylhept-6-en-3-ol?
The InChIKey is JQOYNBMPLXOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-7-9(3,4)8(10)6-2/h5,8,10H,1,6-7H2,2-4H3.
What are the key properties of 4,4-dimethylhept-6-en-3-ol?
4,4-dimethylhept-6-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhept-6-en-3-ol is sourced from PubChem (CID 74440422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).