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

C15H24 — CID 15519994

IUPAC(3aR,5Z,9aR)-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-/m0/s1
InChIKeyJRCVPJOABWZGQV-BJLYVFBQSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds

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

(3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene (PubChem CID 15519994) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene.

Molecular Properties

Compound Name(3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene
PubChem CID15519994
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3aR,5Z,9aR)-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-/m0/s1
InChIKeyJRCVPJOABWZGQV-BJLYVFBQSA-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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Frequently Asked Questions

What is the IUPAC name of (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
The IUPAC name of (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene (CID 15519994) is (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene.
What is the SMILES notation for (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
The canonical SMILES for (3aR,5Z,9aR)-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 (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
The InChIKey is JRCVPJOABWZGQV-BJLYVFBQSA-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-/m0/s1.
What are the key properties of (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene?
(3aR,5Z,9aR)-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 (3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene is sourced from PubChem (CID 15519994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).