1,2-bis(prop-2-enyl)cyclohexane-1,2-diol

C12H20O2 — CID 12616801

IUPAC1,2-bis(prop-2-enyl)cyclohexane-1,2-diol
SMILESC=CCC1(O)CCCCC1(O)CC=C
InChIInChI=1S/C12H20O2/c1-3-7-11(13)9-5-6-10-12(11,14)8-4-2/h3-4,13-14H,1-2,5-10H2
InChIKeyZXJKALDMAVBZLF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds4

About 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol

1,2-bis(prop-2-enyl)cyclohexane-1,2-diol (PubChem CID 12616801) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)cyclohexane-1,2-diol
PubChem CID12616801
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,2-bis(prop-2-enyl)cyclohexane-1,2-diol
SMILESC=CCC1(O)CCCCC1(O)CC=C
InChIInChI=1S/C12H20O2/c1-3-7-11(13)9-5-6-10-12(11,14)8-4-2/h3-4,13-14H,1-2,5-10H2
InChIKeyZXJKALDMAVBZLF-UHFFFAOYSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol?
The IUPAC name of 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol (CID 12616801) is 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol.
What is the SMILES notation for 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol?
The canonical SMILES for 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol is C=CCC1(O)CCCCC1(O)CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol?
The InChIKey is ZXJKALDMAVBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-7-11(13)9-5-6-10-12(11,14)8-4-2/h3-4,13-14H,1-2,5-10H2.
What are the key properties of 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol?
1,2-bis(prop-2-enyl)cyclohexane-1,2-diol has a molecular weight of 196.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)cyclohexane-1,2-diol is sourced from PubChem (CID 12616801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).