4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C16H22 — CID 59018503

IUPAC4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC=CC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C16H22/c1-2-16-6-13-10-3-9-4-11(13)15(8-16)12(5-9)14(10)7-16/h2,9-15H,1,3-8H2
InChIKeyIMDXOAHEUCZYBK-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.88
Rot. Bonds1

About 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 59018503) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID59018503
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC=CC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C16H22/c1-2-16-6-13-10-3-9-4-11(13)15(8-16)12(5-9)14(10)7-16/h2,9-15H,1,3-8H2
InChIKeyIMDXOAHEUCZYBK-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 91434011
4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 59157224
5-ethenyl-2-(trifluoromethyl)adamantan-2-ol
CID 22320002
(1R,2R,3R,6R,7S,8S)-4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonane
CID 124834846
4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane
CID 14265364
(7S,11R)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-thiol
CID 102184392
1-fluoropentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 13046553
4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 59860945
1-ethenylcubane
CID 54231926
CID 100992015
CID 100992015
CID 15129445
CID 15129445
3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 58143174

Frequently Asked Questions

What is the IUPAC name of 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 59018503) is 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is C=CC12CC3C4CC5CC3C(C1)C(C5)C4C2.
What is the InChIKey of 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is IMDXOAHEUCZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-2-16-6-13-10-3-9-4-11(13)15(8-16)12(5-9)14(10)7-16/h2,9-15H,1,3-8H2.
What are the key properties of 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 214.35 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 59018503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).