(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene

C15H24 — CID 163060708

IUPAC(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
SMILESC[C@H]1CC[C@@H]2[C@H]([C@@H]3C1=CC[C@@H]3C)C2(C)C
InChIInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h7,9-10,12-14H,5-6,8H2,1-4H3/t9-,10-,12+,13-,14+/m0/s1
InChIKeyKDDAGEWDPAMROQ-IKOPJOCTSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds

About (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene

(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene (PubChem CID 163060708) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene.

Molecular Properties

Compound Name(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
PubChem CID163060708
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
SMILESC[C@H]1CC[C@@H]2[C@H]([C@@H]3C1=CC[C@@H]3C)C2(C)C
InChIInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h7,9-10,12-14H,5-6,8H2,1-4H3/t9-,10-,12+,13-,14+/m0/s1
InChIKeyKDDAGEWDPAMROQ-IKOPJOCTSA-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 (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene?
The IUPAC name of (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene (CID 163060708) is (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene.
What is the SMILES notation for (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene?
The canonical SMILES for (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene is C[C@H]1CC[C@@H]2[C@H]([C@@H]3C1=CC[C@@H]3C)C2(C)C.
What is the InChIKey of (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene?
The InChIKey is KDDAGEWDPAMROQ-IKOPJOCTSA-N. The full InChI is InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h7,9-10,12-14H,5-6,8H2,1-4H3/t9-,10-,12+,13-,14+/m0/s1.
What are the key properties of (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene?
(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene 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 (1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene is sourced from PubChem (CID 163060708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).