(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene

C12H18 — CID 163043079

IUPAC(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCC1=C2C=CCC[C@]2(C)CCC1
InChIInChI=1S/C12H18/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3,7H,4-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeySYDHZVHOOCXZMB-GFCCVEGCSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds

About (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene

(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene (PubChem CID 163043079) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
PubChem CID163043079
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCC1=C2C=CCC[C@]2(C)CCC1
InChIInChI=1S/C12H18/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3,7H,4-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeySYDHZVHOOCXZMB-GFCCVEGCSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
The IUPAC name of (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene (CID 163043079) is (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene.
What is the SMILES notation for (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
The canonical SMILES for (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene is CC1=C2C=CCC[C@]2(C)CCC1.
What is the InChIKey of (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
The InChIKey is SYDHZVHOOCXZMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3,7H,4-6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene is sourced from PubChem (CID 163043079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).