8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene

C15H24 — CID 6428416

IUPAC8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
SMILESC=C(C)C1CCC2CCC=C(C)C2(C)C1
InChIInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h6,13-14H,1,5,7-10H2,2-4H3
InChIKeyZZPSOALECBMAMW-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene

8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene (PubChem CID 6428416) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
PubChem CID6428416
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
SMILESC=C(C)C1CCC2CCC=C(C)C2(C)C1
InChIInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h6,13-14H,1,5,7-10H2,2-4H3
InChIKeyZZPSOALECBMAMW-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The IUPAC name of 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene (CID 6428416) is 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene.
What is the SMILES notation for 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The canonical SMILES for 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene is C=C(C)C1CCC2CCC=C(C)C2(C)C1.
What is the InChIKey of 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The InChIKey is ZZPSOALECBMAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h6,13-14H,1,5,7-10H2,2-4H3.
What are the key properties of 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene is sourced from PubChem (CID 6428416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).