hex-3-en-1-ol;hex-4-en-1-ol

C12H24O2 — CID 173292659

IUPAChex-3-en-1-ol;hex-4-en-1-ol
SMILESCC=CCCCO.CCC=CCCO
InChIInChI=1S/2C6H12O/c2*1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3;2-3,7H,4-6H2,1H3
InChIKeyRKRUWQOCWAOLOL-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.67
Rot. Bonds6

About hex-3-en-1-ol;hex-4-en-1-ol

hex-3-en-1-ol;hex-4-en-1-ol (PubChem CID 173292659) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is hex-3-en-1-ol;hex-4-en-1-ol.

Molecular Properties

Compound Namehex-3-en-1-ol;hex-4-en-1-ol
PubChem CID173292659
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namehex-3-en-1-ol;hex-4-en-1-ol
SMILESCC=CCCCO.CCC=CCCO
InChIInChI=1S/2C6H12O/c2*1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3;2-3,7H,4-6H2,1H3
InChIKeyRKRUWQOCWAOLOL-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.67
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

(Z)-hept-4-en-1-ol
CID 5367536
(2Z,7Z)-deca-2,7-diene
CID 6429619
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
(4E,7E)-deca-4,7-dien-1-ol;decan-1-ol;dodecan-1-ol;(4E,7E,10E)-dodeca-4,7,10-trien-1-ol;hexadecan-1-ol;(4E,7E,10E,13E)-hexadeca-4,7,10,13-tetraen-1-ol;hexan-1-ol;(E)-hex-4-en-1-ol;octan-1-ol;(E)-oct-4-en-1-ol;tetradecan-1-ol;(4E,7E,10E)-tetradeca-4,7,10-trien-1-ol
CID 159804843
(Z)-hexadec-13-en-1-ol
CID 6431331
hexacos-23-en-1-ol
CID 74976819
tridec-10-en-1-ol
CID 53427401
(E)-undec-8-en-1-ol
CID 6366560
tetradeca-5,8,11-trien-1-ol
CID 165176373
actinium;(Z)-tridec-11-en-1-ol
CID 159826456
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675

Frequently Asked Questions

What is the IUPAC name of hex-3-en-1-ol;hex-4-en-1-ol?
The IUPAC name of hex-3-en-1-ol;hex-4-en-1-ol (CID 173292659) is hex-3-en-1-ol;hex-4-en-1-ol.
What is the SMILES notation for hex-3-en-1-ol;hex-4-en-1-ol?
The canonical SMILES for hex-3-en-1-ol;hex-4-en-1-ol is CC=CCCCO.CCC=CCCO.
What is the InChIKey of hex-3-en-1-ol;hex-4-en-1-ol?
The InChIKey is RKRUWQOCWAOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O/c2*1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3;2-3,7H,4-6H2,1H3.
What are the key properties of hex-3-en-1-ol;hex-4-en-1-ol?
hex-3-en-1-ol;hex-4-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-en-1-ol;hex-4-en-1-ol is sourced from PubChem (CID 173292659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).