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

C15H24 — CID 162869279

IUPAC(1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene
SMILESC[C@H]1CC=C2[C@H]1CC(C)(C)C[C@H]1C[C@@]21C
InChIInChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h6,10-12H,5,7-9H2,1-4H3/t10-,11-,12-,15+/m0/s1
InChIKeyRXAARNYRZLZZNY-JUFZMCDQSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

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

(1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene (PubChem CID 162869279) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene.

Molecular Properties

Compound Name(1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene
PubChem CID162869279
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene
SMILESC[C@H]1CC=C2[C@H]1CC(C)(C)C[C@H]1C[C@@]21C
InChIInChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h6,10-12H,5,7-9H2,1-4H3/t10-,11-,12-,15+/m0/s1
InChIKeyRXAARNYRZLZZNY-JUFZMCDQSA-N
XLogP4.41
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 ≤ 54.41
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

(1aS,4aR,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene
CID 162869277
8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde
CID 58231609
(1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
CID 42608140
3-bromo-1,1,4-trimethylcyclopentane
CID 106663442
(1aR,4R,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,3,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-4-ol
CID 10727672
(1R,3aZ,6R,9aS)-1,4,6,8,8-pentamethyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[8]annulene
CID 139591490
1,1,3-trimethylcyclobutane
CID 12656861
17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 620772
(1aR,5R,7bR)-3,3,5,7b-tetramethyl-1,1a,2,4,5,6-hexahydrocyclopropa[h]azulen-7-one
CID 98173139
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382
4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine
CID 123734212
(3aS,6aR)-3,5,5-trimethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 101187822

Frequently Asked Questions

What is the IUPAC name of (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene?
The IUPAC name of (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene (CID 162869279) is (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene.
What is the SMILES notation for (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene?
The canonical SMILES for (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene is C[C@H]1CC=C2[C@H]1CC(C)(C)C[C@H]1C[C@@]21C.
What is the InChIKey of (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene?
The InChIKey is RXAARNYRZLZZNY-JUFZMCDQSA-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/h6,10-12H,5,7-9H2,1-4H3/t10-,11-,12-,15+/m0/s1.
What are the key properties of (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene?
(1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,4aS,5S,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,5,6-hexahydro-1H-cyclopropa[e]azulene is sourced from PubChem (CID 162869279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).