(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene

C15H22 — CID 14083576

IUPAC(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
SMILESCC1=C[C@@H]2C(=CC1)C(C)=CC[C@H]2C(C)C
InChIInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3/t13-,15-/m0/s1
InChIKeyKGEVYKNFJQYULL-ZFWWWQNUSA-N
MW202.34 g/mol
LogP4.50
Rot. Bonds1

About (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene

(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene (PubChem CID 14083576) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
PubChem CID14083576
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
SMILESCC1=C[C@@H]2C(=CC1)C(C)=CC[C@H]2C(C)C
InChIInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3/t13-,15-/m0/s1
InChIKeyKGEVYKNFJQYULL-ZFWWWQNUSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
The IUPAC name of (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene (CID 14083576) is (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene.
What is the SMILES notation for (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
The canonical SMILES for (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene is CC1=C[C@@H]2C(=CC1)C(C)=CC[C@H]2C(C)C.
What is the InChIKey of (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
The InChIKey is KGEVYKNFJQYULL-ZFWWWQNUSA-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/h6-7,9-10,13,15H,5,8H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene has a molecular weight of 202.34 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene is sourced from PubChem (CID 14083576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).