(8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene

C15H24 — CID 23425324

IUPAC(8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
SMILESCC(C)=C1CC[C@@]2(C)CCCC(C)=C2C1
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-10H2,1-4H3/t15-/m1/s1
InChIKeyCRIKCAXISSWYRQ-OAHLLOKOSA-N
MW204.36 g/mol
LogP5.01
Rot. Bonds

About (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene

(8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene (PubChem CID 23425324) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene.

Molecular Properties

Compound Name(8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
PubChem CID23425324
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
SMILESCC(C)=C1CC[C@@]2(C)CCCC(C)=C2C1
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-10H2,1-4H3/t15-/m1/s1
InChIKeyCRIKCAXISSWYRQ-OAHLLOKOSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene with MolForge

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Related Compounds

Valencene
CID 9855795
4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 288227
(+)-5-Epi-Aristolochene
CID 5460659
3,7(11)-Eudesmadiene
CID 522296
(1S,7S,8aR)-1,2,3,4,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylethenyl)naphthalene
CID 656496
Eremophilene
CID 12309744
(+)-Eremophilene
CID 6431897
Sibirene
CID 14167644
(+)-beta-Chamigrene
CID 12302844
beta-Chamigrene
CID 442353
5,11-Selinadiene
CID 10899741
6-Isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 2237

Frequently Asked Questions

What is the IUPAC name of (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene?
The IUPAC name of (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene (CID 23425324) is (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene.
What is the SMILES notation for (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene?
The canonical SMILES for (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene is CC(C)=C1CC[C@@]2(C)CCCC(C)=C2C1.
What is the InChIKey of (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene?
The InChIKey is CRIKCAXISSWYRQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-10H2,1-4H3/t15-/m1/s1.
What are the key properties of (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene?
(8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene has a molecular weight of 204.36 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-4,8a-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene is sourced from PubChem (CID 23425324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).