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

C15H24 — CID 58067904

IUPAC(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
SMILESCC(C)=C[C@@H]1CC[C@@H](C)[C@H]2CC=C(C)C12
InChIInChI=1S/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h6,9,11,13-15H,5,7-8H2,1-4H3/t11-,13+,14-,15?/m1/s1
InChIKeySQTWBZIPCJNIHQ-BMGQEUAGSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

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

(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene (PubChem CID 58067904) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
PubChem CID58067904
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
SMILESCC(C)=C[C@@H]1CC[C@@H](C)[C@H]2CC=C(C)C12
InChIInChI=1S/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h6,9,11,13-15H,5,7-8H2,1-4H3/t11-,13+,14-,15?/m1/s1
InChIKeySQTWBZIPCJNIHQ-BMGQEUAGSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3aR,4R,7S)-4-methyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 58067883
2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol
CID 58534469
[(1S,3aR,4S,6R,6aS,9aS,9bS)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6,6a,9,9a,9b-decahydrophenalen-1-yl]-methylazanide
CID 163120385
(3aR,4R,7S)-3-hydroxy-4-methyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 58067902
N-[3,6,9-trimethyl-7-(2-methylprop-1-enyl)-1,2,3,4,6a,7,8,9,9a,9b-decahydrophenalen-3a-yl]methanimine
CID 162877836
(2R,4R,4aS,7aR,10aS,10bR)-4,10-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3,4,4a,5,6,7a,8,10a,10b-decahydroazuleno[4,5-b]pyran
CID 163035558
(1R,3R,4S,8R,9S)-3,7-dimethyl-10-propan-2-ylidene-11-oxatricyclo[6.2.1.04,9]undec-6-ene
CID 102095303
2,7-dimethylbicyclo[4.1.0]hept-2-ene
CID 13427831
(1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol
CID 24939658
6,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-1H-indene
CID 71410515
3-[(4S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
CID 123221979
(E)-3-[(1S,4S,7R,7aS)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
CID 163032001

Frequently Asked Questions

What is the IUPAC name of (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene?
The IUPAC name of (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene (CID 58067904) is (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene.
What is the SMILES notation for (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene?
The canonical SMILES for (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene is CC(C)=C[C@@H]1CC[C@@H](C)[C@H]2CC=C(C)C12.
What is the InChIKey of (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene?
The InChIKey is SQTWBZIPCJNIHQ-BMGQEUAGSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h6,9,11,13-15H,5,7-8H2,1-4H3/t11-,13+,14-,15?/m1/s1.
What are the key properties of (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene?
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene is sourced from PubChem (CID 58067904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).