(3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene

C15H24 — CID 10536208

IUPAC(3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene
SMILESC=C1CC/C=C(/C)C[C@@H]2CC(C)(C)C[C@H]12
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
InChIKeyJRCVPJOABWZGQV-FLFDDASRSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds

About (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene

(3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene (PubChem CID 10536208) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene.

Molecular Properties

Compound Name(3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene
PubChem CID10536208
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene
SMILESC=C1CC/C=C(/C)C[C@@H]2CC(C)(C)C[C@H]12
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
InChIKeyJRCVPJOABWZGQV-FLFDDASRSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(-)-Cedrene
CID 6431015
beta-Santalene
CID 10889018
Methylcyclopentadiene dimer
CID 3033878
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
CID 1201552
Cedrene
CID 521207
Trichodiene
CID 114857
gamma-Gurjunene
CID 15560285
2,5-Dimethyldicyclopentadiene
CID 3437714
Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
CID 10534
alpha-Patchoulene
CID 521710
alpha-Panasinsene
CID 578929
Sesquisabinene
CID 25202482

Frequently Asked Questions

What is the IUPAC name of (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
The IUPAC name of (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene (CID 10536208) is (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene.
What is the SMILES notation for (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
The canonical SMILES for (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene is C=C1CC/C=C(/C)C[C@@H]2CC(C)(C)C[C@H]12.
What is the InChIKey of (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
The InChIKey is JRCVPJOABWZGQV-FLFDDASRSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1.
What are the key properties of (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
(3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene is sourced from PubChem (CID 10536208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).