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

C15H24 — CID 144790526

IUPAC3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene
SMILESCC1=C2CC(C)(C)CC3CC3(C)C2CC1
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
InChIKeyRVGPFHSJCWZEDT-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

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

3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene (PubChem CID 144790526) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene.

Molecular Properties

Compound Name3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene
PubChem CID144790526
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene
SMILESCC1=C2CC(C)(C)CC3CC3(C)C2CC1
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
InChIKeyRVGPFHSJCWZEDT-UHFFFAOYSA-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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Related Compounds

1H-Cycloprop(e)azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7bS)-
CID 521243
(-)-alpha-Gurjunene
CID 15560276
Viridiflorene
CID 10910653
(4alpha,5beta,6alpha,7alpha,10alpha)-1-Aromadendrene
CID 579031
1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
CID 89532
Isoledene
CID 530426
African-3-ene
CID 101078513
beta-Spathulene
CID 15923778
Aromadendra-4,10(15)-diene
CID 21579276
1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1aalpha,7alpha,7abeta,7balpha)]-
CID 6432243
(1aS,4S,4aS,7bR)-1a,2,3,4,4a,5,6,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene
CID 15560275
(1aS,7aS,7bS)-1,1,4-trimethyl-7-methylidene-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[e]azulene
CID 12152396

Frequently Asked Questions

What is the IUPAC name of 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
The IUPAC name of 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene (CID 144790526) is 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene.
What is the SMILES notation for 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
The canonical SMILES for 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene is CC1=C2CC(C)(C)CC3CC3(C)C2CC1.
What is the InChIKey of 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
The InChIKey is RVGPFHSJCWZEDT-UHFFFAOYSA-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.
What are the key properties of 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene?
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 3,3,5,7b-tetramethyl-1a,2,4,6,7,7a-hexahydro-1H-cyclopropa[e]azulene is sourced from PubChem (CID 144790526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).