(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene

C15H24 — CID 20837747

IUPAC(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
SMILESCC(C)C1=CC[C@@]2(C)CCC[C@@H](C)C2=C1
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,10-12H,5-6,8-9H2,1-4H3/t12-,15-/m1/s1
InChIKeyOEJAHQZWKNWZRZ-IUODEOHRSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene

(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene (PubChem CID 20837747) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
PubChem CID20837747
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
SMILESCC(C)C1=CC[C@@]2(C)CCC[C@@H](C)C2=C1
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,10-12H,5-6,8-9H2,1-4H3/t12-,15-/m1/s1
InChIKeyOEJAHQZWKNWZRZ-IUODEOHRSA-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

Analyze (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene with MolForge

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Related Compounds

2-[(4aS,8S)-4a,8-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl]propan-2-ol
CID 102058048
(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 6428338
2-(1-methylcyclopropyl)-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 174271983
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 15768058
(2S,4aS,8S)-4a,8-dimethyl-2-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile
CID 163109819
(5S,8aR)-1-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-isochromen-3-one
CID 14021015
1-[(2S,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]ethanone
CID 91749515
N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine
CID 134905769
N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 134375617
4,4-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2-one
CID 86049416
(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthren-1-yl)methanamine
CID 4266264
bis(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthren-1-yl)methanone
CID 122390296

Frequently Asked Questions

What is the IUPAC name of (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
The IUPAC name of (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene (CID 20837747) is (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene.
What is the SMILES notation for (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
The canonical SMILES for (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene is CC(C)C1=CC[C@@]2(C)CCC[C@@H](C)C2=C1.
What is the InChIKey of (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
The InChIKey is OEJAHQZWKNWZRZ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,10-12H,5-6,8-9H2,1-4H3/t12-,15-/m1/s1.
What are the key properties of (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-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 (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene is sourced from PubChem (CID 20837747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).