(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene

C15H22 — CID 14475467

IUPAC(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene
SMILESCC(C)=C1CC=C2C=CC[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3/t12-,15+/m1/s1
InChIKeyQSUQBXKPPUWLTH-DOMZBBRYSA-N
MW202.34 g/mol
LogP4.65
Rot. Bonds

About (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene

(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene (PubChem CID 14475467) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene
PubChem CID14475467
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene
SMILESCC(C)=C1CC=C2C=CC[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3/t12-,15+/m1/s1
InChIKeyQSUQBXKPPUWLTH-DOMZBBRYSA-N
XLogP4.65
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 ≤ 54.65
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,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene?
The IUPAC name of (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene (CID 14475467) is (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene.
What is the SMILES notation for (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene?
The canonical SMILES for (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene is CC(C)=C1CC=C2C=CC[C@@H](C)[C@]2(C)C1.
What is the InChIKey of (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene?
The InChIKey is QSUQBXKPPUWLTH-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3/t12-,15+/m1/s1.
What are the key properties of (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene?
(1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene has a molecular weight of 202.34 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aS)-1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene is sourced from PubChem (CID 14475467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).