(4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

C15H24 — CID 42608158

IUPAC(4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
SMILESC=C1CCC2C([C@@H]3[C@H](C)CC[C@H]13)C2(C)C
InChIInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12?,13-,14?/m1/s1
InChIKeyITYNGVSTWVVPIC-LRUBOHGLSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds

About (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

(4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene (PubChem CID 42608158) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene.

Molecular Properties

Compound Name(4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
PubChem CID42608158
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
SMILESC=C1CCC2C([C@@H]3[C@H](C)CC[C@H]13)C2(C)C
InChIInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12?,13-,14?/m1/s1
InChIKeyITYNGVSTWVVPIC-LRUBOHGLSA-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 (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[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

Related Compounds

Alloaromadendrene
CID 10899740
1H-Cycloprop(e)azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4abeta,7alpha,7abeta,7balpha))-
CID 91354
Aromadendrene
CID 11095734
(+)-beta-Cedrene
CID 11106485
beta-Gurjunene
CID 6450812
(1beta,4alpha,5beta,6alpha,7alpha)-9-Aromadendrene
CID 13892025
[-]-Isoaromadendrene[V]
CID 21775889
1H-Cycloprop(e)azulene, decahydro-3,3,7b-trimethyl-5-methylene-, (1aS,4aS,7aR,7bR)-
CID 156447
(-)Cedrene
CID 102432
(1beta,7beta)-Cedr-8(15)-ene
CID 16213223
Aromadendra-4,10(15)-diene
CID 21579276
beta-Aromadendrene
CID 42608157

Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene?
The IUPAC name of (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene (CID 42608158) is (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene.
What is the SMILES notation for (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene?
The canonical SMILES for (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene is C=C1CCC2C([C@@H]3[C@H](C)CC[C@H]13)C2(C)C.
What is the InChIKey of (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene?
The InChIKey is ITYNGVSTWVVPIC-LRUBOHGLSA-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/h10-14H,1,5-8H2,2-4H3/t10-,11-,12?,13-,14?/m1/s1.
What are the key properties of (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene?
(4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[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 (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene is sourced from PubChem (CID 42608158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).