(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene

C15H24 — CID 162906895

IUPAC(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene
SMILESCC1=CC[C@@H]2[C@H](C)CC=C(C(C)C)C[C@H]12
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h6-7,10-11,14-15H,5,8-9H2,1-4H3/t11-,14-,15-/m1/s1
InChIKeyYOIKPWLIIDGZLM-KCPJHIHWSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene

(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene (PubChem CID 162906895) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene.

Molecular Properties

Compound Name(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene
PubChem CID162906895
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene
SMILESCC1=CC[C@@H]2[C@H](C)CC=C(C(C)C)C[C@H]12
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h6-7,10-11,14-15H,5,8-9H2,1-4H3/t11-,14-,15-/m1/s1
InChIKeyYOIKPWLIIDGZLM-KCPJHIHWSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene with MolForge

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

Launch Full Analysis

Related Compounds

5-tert-butyl-3,8-dimethyl-1,3a,4,7,8,8a-hexahydroazulene
CID 91748558
5-propan-2-yl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 556585
(1R,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene
CID 163193328
(1R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
CID 163030211
(1S,2S)-4-propan-2-ylcyclohex-4-ene-1,2-dicarboxylic acid
CID 792887
5,8-dimethyl-1-methylidene-3a,4,5,5a,6,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
CID 162882051
(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
(1R,4aS,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
CID 96843146
(3S,4aR,8S,8aR)-3,5,8-trimethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one
CID 101100069
2-(3,8-dimethyl-5-propan-2-yl-4,7,8,8a-tetrahydro-3aH-azulen-1-ylidene)-4-(3,8-dimethyl-5-propan-2-yl-1,4-dihydroazulen-1-yl)-3-hydroxycyclobutan-1-one
CID 91406502
(1R,2S)-4-propan-2-ylcyclohex-4-ene-1,2-dicarboxylate
CID 7392130
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 58067904

Frequently Asked Questions

What is the IUPAC name of (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene?
The IUPAC name of (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene (CID 162906895) is (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene.
What is the SMILES notation for (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene?
The canonical SMILES for (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene is CC1=CC[C@@H]2[C@H](C)CC=C(C(C)C)C[C@H]12.
What is the InChIKey of (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene?
The InChIKey is YOIKPWLIIDGZLM-KCPJHIHWSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h6-7,10-11,14-15H,5,8-9H2,1-4H3/t11-,14-,15-/m1/s1.
What are the key properties of (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene?
(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene is sourced from PubChem (CID 162906895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).