(Z,3S)-5-methylhept-5-en-3-ol

C8H16O — CID 97304128

IUPAC(Z,3S)-5-methylhept-5-en-3-ol
SMILESC/C=C(/C)C[C@@H](O)CC
InChIInChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h4,8-9H,5-6H2,1-3H3/b7-4-/t8-/m0/s1
InChIKeyASBZITVBHMTNPE-NZGHECTNSA-N
MW128.21 g/mol
LogP2.11
Rot. Bonds3

About (Z,3S)-5-methylhept-5-en-3-ol

(Z,3S)-5-methylhept-5-en-3-ol (PubChem CID 97304128) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (Z,3S)-5-methylhept-5-en-3-ol.

Molecular Properties

Compound Name(Z,3S)-5-methylhept-5-en-3-ol
PubChem CID97304128
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(Z,3S)-5-methylhept-5-en-3-ol
SMILESC/C=C(/C)C[C@@H](O)CC
InChIInChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h4,8-9H,5-6H2,1-3H3/b7-4-/t8-/m0/s1
InChIKeyASBZITVBHMTNPE-NZGHECTNSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.11
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

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pentan-3-ol;dihydrochloride
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(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one
CID 158804070
(3R,5R)-heptane-3,5-diol
CID 12641368
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
1-fluorobutan-2-ol
CID 13278453
3-hydroxypentanoic acid;methanol
CID 174973747
(E,2R)-2,4-dimethylhex-4-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of (Z,3S)-5-methylhept-5-en-3-ol?
The IUPAC name of (Z,3S)-5-methylhept-5-en-3-ol (CID 97304128) is (Z,3S)-5-methylhept-5-en-3-ol.
What is the SMILES notation for (Z,3S)-5-methylhept-5-en-3-ol?
The canonical SMILES for (Z,3S)-5-methylhept-5-en-3-ol is C/C=C(/C)C[C@@H](O)CC.
What is the InChIKey of (Z,3S)-5-methylhept-5-en-3-ol?
The InChIKey is ASBZITVBHMTNPE-NZGHECTNSA-N. The full InChI is InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h4,8-9H,5-6H2,1-3H3/b7-4-/t8-/m0/s1.
What are the key properties of (Z,3S)-5-methylhept-5-en-3-ol?
(Z,3S)-5-methylhept-5-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-5-methylhept-5-en-3-ol is sourced from PubChem (CID 97304128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).