(4-prop-1-en-2-ylcyclohexen-1-yl)methanediol

C10H16O2 — CID 19993423

IUPAC(4-prop-1-en-2-ylcyclohexen-1-yl)methanediol
SMILESC=C(C)C1CC=C(C(O)O)CC1
InChIInChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8,10-12H,1,3-4,6H2,2H3
InChIKeyQLVAGOSMQHVSAY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.60
Rot. Bonds2

About (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol

(4-prop-1-en-2-ylcyclohexen-1-yl)methanediol (PubChem CID 19993423) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol.

Molecular Properties

Compound Name(4-prop-1-en-2-ylcyclohexen-1-yl)methanediol
PubChem CID19993423
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4-prop-1-en-2-ylcyclohexen-1-yl)methanediol
SMILESC=C(C)C1CC=C(C(O)O)CC1
InChIInChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8,10-12H,1,3-4,6H2,2H3
InChIKeyQLVAGOSMQHVSAY-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol?
The IUPAC name of (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol (CID 19993423) is (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol.
What is the SMILES notation for (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol?
The canonical SMILES for (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol is C=C(C)C1CC=C(C(O)O)CC1.
What is the InChIKey of (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol?
The InChIKey is QLVAGOSMQHVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8,10-12H,1,3-4,6H2,2H3.
What are the key properties of (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol?
(4-prop-1-en-2-ylcyclohexen-1-yl)methanediol has a molecular weight of 168.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-1-en-2-ylcyclohexen-1-yl)methanediol is sourced from PubChem (CID 19993423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).