(2R)-2-ethenylhexane-1,6-diol

C8H16O2 — CID 130621473

IUPAC(2R)-2-ethenylhexane-1,6-diol
SMILESC=C[C@H](CO)CCCCO
InChIInChI=1S/C8H16O2/c1-2-8(7-10)5-3-4-6-9/h2,8-10H,1,3-7H2/t8-/m0/s1
InChIKeyFKRFWRMGCSEJQS-QMMMGPOBSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds6

About (2R)-2-ethenylhexane-1,6-diol

(2R)-2-ethenylhexane-1,6-diol (PubChem CID 130621473) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2R)-2-ethenylhexane-1,6-diol.

Molecular Properties

Compound Name(2R)-2-ethenylhexane-1,6-diol
PubChem CID130621473
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2R)-2-ethenylhexane-1,6-diol
SMILESC=C[C@H](CO)CCCCO
InChIInChI=1S/C8H16O2/c1-2-8(7-10)5-3-4-6-9/h2,8-10H,1,3-7H2/t8-/m0/s1
InChIKeyFKRFWRMGCSEJQS-QMMMGPOBSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
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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2-ethenyl-4-methylpentan-1-ol
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2-(hydroxymethyl)nonadecane-1,19-diol
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ethane;(2S)-2-methylheptane-1,3,7-triol;prop-1-ene
CID 142161080
ethane;9-ethenylheptadecane;octane
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenylhexane-1,6-diol?
The IUPAC name of (2R)-2-ethenylhexane-1,6-diol (CID 130621473) is (2R)-2-ethenylhexane-1,6-diol.
What is the SMILES notation for (2R)-2-ethenylhexane-1,6-diol?
The canonical SMILES for (2R)-2-ethenylhexane-1,6-diol is C=C[C@H](CO)CCCCO.
What is the InChIKey of (2R)-2-ethenylhexane-1,6-diol?
The InChIKey is FKRFWRMGCSEJQS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-8(7-10)5-3-4-6-9/h2,8-10H,1,3-7H2/t8-/m0/s1.
What are the key properties of (2R)-2-ethenylhexane-1,6-diol?
(2R)-2-ethenylhexane-1,6-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenylhexane-1,6-diol is sourced from PubChem (CID 130621473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).