(3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene

C15H24 — CID 135039026

IUPAC(3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene
SMILESC=C1CCC2C[C@H]3CC(C)(C)C[C@H]3[C@]12C
InChIInChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12?,13+,15+/m0/s1
InChIKeyXEORYLRYWDQOAT-JISICJPESA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene

(3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene (PubChem CID 135039026) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene.

Molecular Properties

Compound Name(3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene
PubChem CID135039026
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene
SMILESC=C1CCC2C[C@H]3CC(C)(C)C[C@H]3[C@]12C
InChIInChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12?,13+,15+/m0/s1
InChIKeyXEORYLRYWDQOAT-JISICJPESA-N
XLogP4.41
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 ≤ 54.41
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

3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
CID 139255459
(1aR,4aS,7aR,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulene
CID 15227493
(1aS,4aS,7aS,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulene
CID 42608165
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 130992158
(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane
CID 169445693
(3S,4aS,6aR,7aS,10aS,11aR,11bR)-7a-methyl-8-methylidene-2,3,4,4a,5,6,6a,7,9,10,10a,11,11a,11b-tetradecahydro-1H-cyclopenta[b]phenanthren-3-ol
CID 90396144
(1aS,4aS,6R,7aR,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-6-ol
CID 162968973
(4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene
CID 15939655
4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol
CID 88972387
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 175675689
(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
CID 91731723

Frequently Asked Questions

What is the IUPAC name of (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene?
The IUPAC name of (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene (CID 135039026) is (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene.
What is the SMILES notation for (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene?
The canonical SMILES for (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene is C=C1CCC2C[C@H]3CC(C)(C)C[C@H]3[C@]12C.
What is the InChIKey of (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene?
The InChIKey is XEORYLRYWDQOAT-JISICJPESA-N. The full InChI is InChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12?,13+,15+/m0/s1.
What are the key properties of (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene?
(3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3bR,6aS)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene is sourced from PubChem (CID 135039026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).