(Z)-4,5-dimethylhept-2-en-3-ol

C9H18O — CID 5366237

IUPAC(Z)-4,5-dimethylhept-2-en-3-ol
SMILESC/C=C(\O)C(C)C(C)CC
InChIInChI=1S/C9H18O/c1-5-7(3)8(4)9(10)6-2/h6-8,10H,5H2,1-4H3/b9-6-
InChIKeyHYWAFUMZYFOODP-TWGQIWQCSA-N
MW142.24 g/mol
LogP3.13
Rot. Bonds3

About (Z)-4,5-dimethylhept-2-en-3-ol

(Z)-4,5-dimethylhept-2-en-3-ol (PubChem CID 5366237) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (Z)-4,5-dimethylhept-2-en-3-ol.

Molecular Properties

Compound Name(Z)-4,5-dimethylhept-2-en-3-ol
PubChem CID5366237
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(Z)-4,5-dimethylhept-2-en-3-ol
SMILESC/C=C(\O)C(C)C(C)CC
InChIInChI=1S/C9H18O/c1-5-7(3)8(4)9(10)6-2/h6-8,10H,5H2,1-4H3/b9-6-
InChIKeyHYWAFUMZYFOODP-TWGQIWQCSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
3,6,7-trimethylnon-2-ene
CID 123488713
(2S,3S)-2,3-dimethylpentanoyl fluoride
CID 134490235
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
ethyl 2,3-dimethylpentanoate
CID 55255239
3-ethyl-5,6-dimethyloct-2-ene
CID 123995420
(2S,3R)-3-methylpentan-2-ol
CID 6993006
(3S)-N,N,3,4-tetramethylhex-1-en-2-amine
CID 142994233
1-but-2-enoxy-3,4-dimethylhexan-2-one
CID 76672886
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327

Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-dimethylhept-2-en-3-ol?
The IUPAC name of (Z)-4,5-dimethylhept-2-en-3-ol (CID 5366237) is (Z)-4,5-dimethylhept-2-en-3-ol.
What is the SMILES notation for (Z)-4,5-dimethylhept-2-en-3-ol?
The canonical SMILES for (Z)-4,5-dimethylhept-2-en-3-ol is C/C=C(\O)C(C)C(C)CC.
What is the InChIKey of (Z)-4,5-dimethylhept-2-en-3-ol?
The InChIKey is HYWAFUMZYFOODP-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H18O/c1-5-7(3)8(4)9(10)6-2/h6-8,10H,5H2,1-4H3/b9-6-.
What are the key properties of (Z)-4,5-dimethylhept-2-en-3-ol?
(Z)-4,5-dimethylhept-2-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-dimethylhept-2-en-3-ol is sourced from PubChem (CID 5366237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).