(1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene

C15H24 — CID 101379956

IUPAC(1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene
SMILESCC1=C2CC(C)(C)C[C@@H]3C[C@]3(C)[C@H]2CC1
InChIInChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h11,13H,5-9H2,1-4H3/t11-,13+,15+/m1/s1
InChIKeyRVGPFHSJCWZEDT-ZLDLUXBVSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene

(1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene (PubChem CID 101379956) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene.

Molecular Properties

Compound Name(1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene
PubChem CID101379956
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene
SMILESCC1=C2CC(C)(C)C[C@@H]3C[C@]3(C)[C@H]2CC1
InChIInChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h11,13H,5-9H2,1-4H3/t11-,13+,15+/m1/s1
InChIKeyRVGPFHSJCWZEDT-ZLDLUXBVSA-N
XLogP4.56
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 ≤ 54.56
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 (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
The IUPAC name of (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene (CID 101379956) is (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene.
What is the SMILES notation for (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
The canonical SMILES for (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene is CC1=C2CC(C)(C)C[C@@H]3C[C@]3(C)[C@H]2CC1.
What is the InChIKey of (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
The InChIKey is RVGPFHSJCWZEDT-ZLDLUXBVSA-N. The full InChI is InChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h11,13H,5-9H2,1-4H3/t11-,13+,15+/m1/s1.
What are the key properties of (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
(1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene has a molecular weight of 204.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7aR,7bS)-3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene is sourced from PubChem (CID 101379956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).