(Z,2S)-3-ethylhept-5-en-2-ol

C9H18O — CID 89085981

IUPAC(Z,2S)-3-ethylhept-5-en-2-ol
SMILESC/C=C\CC(CC)[C@H](C)O
InChIInChI=1S/C9H18O/c1-4-6-7-9(5-2)8(3)10/h4,6,8-10H,5,7H2,1-3H3/b6-4-/t8-,9?/m0/s1
InChIKeyGDTNETLKJXAEAT-JCGIIUMHSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds4

About (Z,2S)-3-ethylhept-5-en-2-ol

(Z,2S)-3-ethylhept-5-en-2-ol (PubChem CID 89085981) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (Z,2S)-3-ethylhept-5-en-2-ol.

Molecular Properties

Compound Name(Z,2S)-3-ethylhept-5-en-2-ol
PubChem CID89085981
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(Z,2S)-3-ethylhept-5-en-2-ol
SMILESC/C=C\CC(CC)[C@H](C)O
InChIInChI=1S/C9H18O/c1-4-6-7-9(5-2)8(3)10/h4,6,8-10H,5,7H2,1-3H3/b6-4-/t8-,9?/m0/s1
InChIKeyGDTNETLKJXAEAT-JCGIIUMHSA-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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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-3-ethylhept-5-en-2-ol?
The IUPAC name of (Z,2S)-3-ethylhept-5-en-2-ol (CID 89085981) is (Z,2S)-3-ethylhept-5-en-2-ol.
What is the SMILES notation for (Z,2S)-3-ethylhept-5-en-2-ol?
The canonical SMILES for (Z,2S)-3-ethylhept-5-en-2-ol is C/C=C\CC(CC)[C@H](C)O.
What is the InChIKey of (Z,2S)-3-ethylhept-5-en-2-ol?
The InChIKey is GDTNETLKJXAEAT-JCGIIUMHSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-7-9(5-2)8(3)10/h4,6,8-10H,5,7H2,1-3H3/b6-4-/t8-,9?/m0/s1.
What are the key properties of (Z,2S)-3-ethylhept-5-en-2-ol?
(Z,2S)-3-ethylhept-5-en-2-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 (Z,2S)-3-ethylhept-5-en-2-ol is sourced from PubChem (CID 89085981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).