5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene

C10H14 — CID 148721233

IUPAC5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
SMILESC=C=C1CC2CCCC2C1
InChIInChI=1S/C10H14/c1-2-8-6-9-4-3-5-10(9)7-8/h9-10H,1,3-7H2
InChIKeyNZCUWKITUHIDPL-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.91
Rot. Bonds

About 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene

5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene (PubChem CID 148721233) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene.

Molecular Properties

Compound Name5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
PubChem CID148721233
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
SMILESC=C=C1CC2CCCC2C1
InChIInChI=1S/C10H14/c1-2-8-6-9-4-3-5-10(9)7-8/h9-10H,1,3-7H2
InChIKeyNZCUWKITUHIDPL-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 13462494
cyclohexylcyclohexane;propa-1,2-diene
CID 175423188
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10-diene
CID 90715431
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile
CID 13380464
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
CID 90943722
CID 90943722

Frequently Asked Questions

What is the IUPAC name of 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
The IUPAC name of 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene (CID 148721233) is 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene.
What is the SMILES notation for 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
The canonical SMILES for 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene is C=C=C1CC2CCCC2C1.
What is the InChIKey of 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
The InChIKey is NZCUWKITUHIDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-8-6-9-4-3-5-10(9)7-8/h9-10H,1,3-7H2.
What are the key properties of 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene has a molecular weight of 134.22 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene is sourced from PubChem (CID 148721233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).