(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene

C15H24 — CID 91748721

IUPAC(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
SMILESCC(C)=CC1C2CCC(C)=C2CC[C@@H]1C
InChIInChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,12,14-15H,5-8H2,1-4H3/t12-,14?,15?/m0/s1
InChIKeyXZXKARAEMBFZSM-GRTSSRMGSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene

(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene (PubChem CID 91748721) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
PubChem CID91748721
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
SMILESCC(C)=CC1C2CCC(C)=C2CC[C@@H]1C
InChIInChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,12,14-15H,5-8H2,1-4H3/t12-,14?,15?/m0/s1
InChIKeyXZXKARAEMBFZSM-GRTSSRMGSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene with MolForge

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Related Compounds

2-[(3S,5R)-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl]propan-2-yl acetate
CID 91748904
(3S,3aR)-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one
CID 10726011
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
CID 15834756
3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 163050318
(1R,3aZ,6R,9aS)-1,4,6,8,8-pentamethyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[8]annulene
CID 139591490
(E)-3-[(4R,7S,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol
CID 71774775
2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine
CID 162883519
2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde
CID 87129296
cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone
CID 135067667
(1aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
CID 162961979
(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
CID 10910653
(6R,8S,8aS)-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulen-6-ol
CID 130875381

Frequently Asked Questions

What is the IUPAC name of (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene?
The IUPAC name of (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene (CID 91748721) is (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene.
What is the SMILES notation for (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene?
The canonical SMILES for (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene is CC(C)=CC1C2CCC(C)=C2CC[C@@H]1C.
What is the InChIKey of (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene?
The InChIKey is XZXKARAEMBFZSM-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,12,14-15H,5-8H2,1-4H3/t12-,14?,15?/m0/s1.
What are the key properties of (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene?
(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene 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 (6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene is sourced from PubChem (CID 91748721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).