(E)-hex-2-en-1-ol;2-methyloctan-2-ol

C15H32O2 — CID 87673623

IUPAC(E)-hex-2-en-1-ol;2-methyloctan-2-ol
SMILESCCC/C=C/CO.CCCCCCC(C)(C)O
InChIInChI=1S/C9H20O.C6H12O/c1-4-5-6-7-8-9(2,3)10;1-2-3-4-5-6-7/h10H,4-8H2,1-3H3;4-5,7H,2-3,6H2,1H3/b;5-4+
InChIKeyOAUZPMFYQVZVNJ-RCKHEGBHSA-N
MW244.42 g/mol
LogP4.06
Rot. Bonds8

About (E)-hex-2-en-1-ol;2-methyloctan-2-ol

(E)-hex-2-en-1-ol;2-methyloctan-2-ol (PubChem CID 87673623) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is (E)-hex-2-en-1-ol;2-methyloctan-2-ol.

Molecular Properties

Compound Name(E)-hex-2-en-1-ol;2-methyloctan-2-ol
PubChem CID87673623
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name(E)-hex-2-en-1-ol;2-methyloctan-2-ol
SMILESCCC/C=C/CO.CCCCCCC(C)(C)O
InChIInChI=1S/C9H20O.C6H12O/c1-4-5-6-7-8-9(2,3)10;1-2-3-4-5-6-7/h10H,4-8H2,1-3H3;4-5,7H,2-3,6H2,1H3/b;5-4+
InChIKeyOAUZPMFYQVZVNJ-RCKHEGBHSA-N
XLogP4.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(1R,9S)-9-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol
CID 70686828
(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
CID 14109005
(1R,5E,9S)-9-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol
CID 60200859
(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol
CID 10607657
(5S)-19-methyleicos-(3Z)-en-1-yn-5-ol
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(1S,4S,5E,8R,9E,11S)-4,8-dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-5,9-diene-1,4,8-triol
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Frequently Asked Questions

What is the IUPAC name of (E)-hex-2-en-1-ol;2-methyloctan-2-ol?
The IUPAC name of (E)-hex-2-en-1-ol;2-methyloctan-2-ol (CID 87673623) is (E)-hex-2-en-1-ol;2-methyloctan-2-ol.
What is the SMILES notation for (E)-hex-2-en-1-ol;2-methyloctan-2-ol?
The canonical SMILES for (E)-hex-2-en-1-ol;2-methyloctan-2-ol is CCC/C=C/CO.CCCCCCC(C)(C)O.
What is the InChIKey of (E)-hex-2-en-1-ol;2-methyloctan-2-ol?
The InChIKey is OAUZPMFYQVZVNJ-RCKHEGBHSA-N. The full InChI is InChI=1S/C9H20O.C6H12O/c1-4-5-6-7-8-9(2,3)10;1-2-3-4-5-6-7/h10H,4-8H2,1-3H3;4-5,7H,2-3,6H2,1H3/b;5-4+.
What are the key properties of (E)-hex-2-en-1-ol;2-methyloctan-2-ol?
(E)-hex-2-en-1-ol;2-methyloctan-2-ol has a molecular weight of 244.42 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-en-1-ol;2-methyloctan-2-ol is sourced from PubChem (CID 87673623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).