2-ethylidenehexane-1,6-diol

C8H16O2 — CID 173370612

IUPAC2-ethylidenehexane-1,6-diol
SMILESCC=C(CO)CCCCO
InChIInChI=1S/C8H16O2/c1-2-8(7-10)5-3-4-6-9/h2,9-10H,3-7H2,1H3
InChIKeyVQPAKXLEAJPMCT-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds5

About 2-ethylidenehexane-1,6-diol

2-ethylidenehexane-1,6-diol (PubChem CID 173370612) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-ethylidenehexane-1,6-diol.

Molecular Properties

Compound Name2-ethylidenehexane-1,6-diol
PubChem CID173370612
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-ethylidenehexane-1,6-diol
SMILESCC=C(CO)CCCCO
InChIInChI=1S/C8H16O2/c1-2-8(7-10)5-3-4-6-9/h2,9-10H,3-7H2,1H3
InChIKeyVQPAKXLEAJPMCT-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.09
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

(E)-4-(chloromethyl)hex-4-en-1-ol
CID 12869748
(3E)-3-ethylideneheptan-1-ol
CID 134993443
5-methylhex-5-en-1-ol
CID 10820498
butane;butane-1,4-diol
CID 160786697
2-ethylidene-6-methylhept-5-en-1-ol
CID 54249540
6-bromohept-6-en-1-ol
CID 122546452
methanediol;pentane-1,5-diol
CID 90027781
2-ethylidene-8-hydroxyoctanoic acid
CID 123361618
(2E)-2-ethylidene-7-hydroxyheptanal
CID 11126506
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
6-aminooxyoct-6-en-1-ol
CID 118213984
actinium;(Z)-tridec-11-en-1-ol
CID 159826456

Frequently Asked Questions

What is the IUPAC name of 2-ethylidenehexane-1,6-diol?
The IUPAC name of 2-ethylidenehexane-1,6-diol (CID 173370612) is 2-ethylidenehexane-1,6-diol.
What is the SMILES notation for 2-ethylidenehexane-1,6-diol?
The canonical SMILES for 2-ethylidenehexane-1,6-diol is CC=C(CO)CCCCO.
What is the InChIKey of 2-ethylidenehexane-1,6-diol?
The InChIKey is VQPAKXLEAJPMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-8(7-10)5-3-4-6-9/h2,9-10H,3-7H2,1H3.
What are the key properties of 2-ethylidenehexane-1,6-diol?
2-ethylidenehexane-1,6-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenehexane-1,6-diol is sourced from PubChem (CID 173370612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).