(1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene

C15H22 — CID 163041461

IUPAC(1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene
SMILESC=C1C=C[C@H]2[C@H](C)CCC(=C(C)C)[C@H]2C1
InChIInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,12,14-15H,3,6,8-9H2,1-2,4H3/t12-,14+,15-/m1/s1
InChIKeyIYQNJZNZDXORJP-VHDGCEQUSA-N
MW202.34 g/mol
LogP4.50
Rot. Bonds

About (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene

(1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene (PubChem CID 163041461) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene.

Molecular Properties

Compound Name(1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene
PubChem CID163041461
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene
SMILESC=C1C=C[C@H]2[C@H](C)CCC(=C(C)C)[C@H]2C1
InChIInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,12,14-15H,3,6,8-9H2,1-2,4H3/t12-,14+,15-/m1/s1
InChIKeyIYQNJZNZDXORJP-VHDGCEQUSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.50
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 (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene?
The IUPAC name of (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene (CID 163041461) is (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene.
What is the SMILES notation for (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene?
The canonical SMILES for (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene is C=C1C=C[C@H]2[C@H](C)CCC(=C(C)C)[C@H]2C1.
What is the InChIKey of (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene?
The InChIKey is IYQNJZNZDXORJP-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,12,14-15H,3,6,8-9H2,1-2,4H3/t12-,14+,15-/m1/s1.
What are the key properties of (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene?
(1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene has a molecular weight of 202.34 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-ylidene-1,2,3,4a,5,8a-hexahydronaphthalene is sourced from PubChem (CID 163041461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).