2,4-bis(prop-2-enyl)cycloheptan-1-ol

C13H22O — CID 70291440

IUPAC2,4-bis(prop-2-enyl)cycloheptan-1-ol
SMILESC=CCC1CCCC(O)C(CC=C)C1
InChIInChI=1S/C13H22O/c1-3-6-11-8-5-9-13(14)12(10-11)7-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyLABJIXLDZHRXMR-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.31
Rot. Bonds4

About 2,4-bis(prop-2-enyl)cycloheptan-1-ol

2,4-bis(prop-2-enyl)cycloheptan-1-ol (PubChem CID 70291440) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,4-bis(prop-2-enyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2,4-bis(prop-2-enyl)cycloheptan-1-ol
PubChem CID70291440
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,4-bis(prop-2-enyl)cycloheptan-1-ol
SMILESC=CCC1CCCC(O)C(CC=C)C1
InChIInChI=1S/C13H22O/c1-3-6-11-8-5-9-13(14)12(10-11)7-4-2/h3-4,11-14H,1-2,5-10H2
InChIKeyLABJIXLDZHRXMR-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,4-bis(prop-2-enyl)cycloheptan-1-ol?
The IUPAC name of 2,4-bis(prop-2-enyl)cycloheptan-1-ol (CID 70291440) is 2,4-bis(prop-2-enyl)cycloheptan-1-ol.
What is the SMILES notation for 2,4-bis(prop-2-enyl)cycloheptan-1-ol?
The canonical SMILES for 2,4-bis(prop-2-enyl)cycloheptan-1-ol is C=CCC1CCCC(O)C(CC=C)C1.
What is the InChIKey of 2,4-bis(prop-2-enyl)cycloheptan-1-ol?
The InChIKey is LABJIXLDZHRXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-6-11-8-5-9-13(14)12(10-11)7-4-2/h3-4,11-14H,1-2,5-10H2.
What are the key properties of 2,4-bis(prop-2-enyl)cycloheptan-1-ol?
2,4-bis(prop-2-enyl)cycloheptan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-2-enyl)cycloheptan-1-ol is sourced from PubChem (CID 70291440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).