(3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene

C15H24 — CID 12047285

IUPAC(3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
SMILESC=C1CC[C@@H]2[C@H](C)[C@H]3CCC(C)(C)[C@H]3[C@H]12
InChIInChI=1S/C15H24/c1-9-5-6-11-10(2)12-7-8-15(3,4)14(12)13(9)11/h10-14H,1,5-8H2,2-4H3/t10-,11+,12+,13+,14+/m0/s1
InChIKeyNWYQHBNCLZRCGO-RYMFRWLXSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds

About (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene

(3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene (PubChem CID 12047285) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene.

Molecular Properties

Compound Name(3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
PubChem CID12047285
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
SMILESC=C1CC[C@@H]2[C@H](C)[C@H]3CCC(C)(C)[C@H]3[C@H]12
InChIInChI=1S/C15H24/c1-9-5-6-11-10(2)12-7-8-15(3,4)14(12)13(9)11/h10-14H,1,5-8H2,2-4H3/t10-,11+,12+,13+,14+/m0/s1
InChIKeyNWYQHBNCLZRCGO-RYMFRWLXSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene with MolForge

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Related Compounds

(1aR,4R,4aR,7aS,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 15775267
1,1,7-trimethyl-4-methylidene-1b,2,3,5,6,6a,7,7a-octahydro-1aH-cyclopropa[a]azulene
CID 71335749
1,4-dimethyltricyclo[3.2.1.03,8]octane
CID 163690199
(1R,2S,3R,6R,7R)-6-methyl-8-methylidenetricyclo[5.3.0.02,6]decan-3-ol
CID 10535328
1-methyl-2-methylidenecyclobutane
CID 20800914
(1aS,4S,4aS,7aS,7bR)-1,1,4-trimethyl-7-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-4-ol
CID 162962302
(3aS,3bR,6aR,7aS)-4,4,6a-trimethyl-3-methylidene-2,3a,3b,6,7,7a-hexahydro-1H-cyclopenta[a]pentalen-5-one
CID 71813924
3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one
CID 57356409
1,2,3-trimethyl-4-methylidenecyclohexane
CID 123416600
(1S,3aR,4S,6S,6aS,9aS,9bR)-1,4-dimethyl-7-methylidene-6-(2-methylprop-2-enyl)-3,3a,4,5,6,6a,8,9,9a,9b-decahydro-2H-phenalene-1-carbonitrile
CID 44566843
(3aS)-1,7a-dimethyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142040574
(3aS,3bS,5S,6aR,7aS)-3,3-dimethyl-4-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-5-ol
CID 163108170

Frequently Asked Questions

What is the IUPAC name of (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
The IUPAC name of (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene (CID 12047285) is (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene.
What is the SMILES notation for (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
The canonical SMILES for (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene is C=C1CC[C@@H]2[C@H](C)[C@H]3CCC(C)(C)[C@H]3[C@H]12.
What is the InChIKey of (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
The InChIKey is NWYQHBNCLZRCGO-RYMFRWLXSA-N. The full InChI is InChI=1S/C15H24/c1-9-5-6-11-10(2)12-7-8-15(3,4)14(12)13(9)11/h10-14H,1,5-8H2,2-4H3/t10-,11+,12+,13+,14+/m0/s1.
What are the key properties of (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene?
(3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene has a molecular weight of 204.36 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3bR,6aR,7R,7aR)-4,4,7-trimethyl-3-methylidene-2,3a,3b,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene is sourced from PubChem (CID 12047285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).