1,4-bis(prop-2-enyl)cyclooctane

C14H24 — CID 175303575

IUPAC1,4-bis(prop-2-enyl)cyclooctane
SMILESC=CCC1CCCCC(CC=C)CC1
InChIInChI=1S/C14H24/c1-3-7-13-9-5-6-10-14(8-4-2)12-11-13/h3-4,13-14H,1-2,5-12H2
InChIKeySXCHKWJQZLZSOZ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds4

About 1,4-bis(prop-2-enyl)cyclooctane

1,4-bis(prop-2-enyl)cyclooctane (PubChem CID 175303575) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,4-bis(prop-2-enyl)cyclooctane.

Molecular Properties

Compound Name1,4-bis(prop-2-enyl)cyclooctane
PubChem CID175303575
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,4-bis(prop-2-enyl)cyclooctane
SMILESC=CCC1CCCCC(CC=C)CC1
InChIInChI=1S/C14H24/c1-3-7-13-9-5-6-10-14(8-4-2)12-11-13/h3-4,13-14H,1-2,5-12H2
InChIKeySXCHKWJQZLZSOZ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,4-bis(prop-2-enyl)cyclooctane?
The IUPAC name of 1,4-bis(prop-2-enyl)cyclooctane (CID 175303575) is 1,4-bis(prop-2-enyl)cyclooctane.
What is the SMILES notation for 1,4-bis(prop-2-enyl)cyclooctane?
The canonical SMILES for 1,4-bis(prop-2-enyl)cyclooctane is C=CCC1CCCCC(CC=C)CC1.
What is the InChIKey of 1,4-bis(prop-2-enyl)cyclooctane?
The InChIKey is SXCHKWJQZLZSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-7-13-9-5-6-10-14(8-4-2)12-11-13/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 1,4-bis(prop-2-enyl)cyclooctane?
1,4-bis(prop-2-enyl)cyclooctane has a molecular weight of 192.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enyl)cyclooctane is sourced from PubChem (CID 175303575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).