2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene

C20H26 — CID 59390096

IUPAC2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene
SMILESCC1=C(C2c3ccccc3CC2C)[C@H]2C[C@@H](C1)C2(C)C
InChIInChI=1S/C20H26/c1-12-9-14-7-5-6-8-16(14)18(12)19-13(2)10-15-11-17(19)20(15,3)4/h5-8,12,15,17-18H,9-11H2,1-4H3/t12?,15-,17-,18?/m1/s1
InChIKeyGFPJNEDFSFSXRT-PELCJYOWSA-N
MW266.43 g/mol
LogP5.34
Rot. Bonds1

About 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene

2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene (PubChem CID 59390096) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene
PubChem CID59390096
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene
SMILESCC1=C(C2c3ccccc3CC2C)[C@H]2C[C@@H](C1)C2(C)C
InChIInChI=1S/C20H26/c1-12-9-14-7-5-6-8-16(14)18(12)19-13(2)10-15-11-17(19)20(15,3)4/h5-8,12,15,17-18H,9-11H2,1-4H3/t12?,15-,17-,18?/m1/s1
InChIKeyGFPJNEDFSFSXRT-PELCJYOWSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene with MolForge

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Related Compounds

3-methyl-4-[(1R,5R)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]thiane
CID 70864682
2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene
CID 102018319
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one
CID 70867807
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
CID 142999040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene (CID 59390096) is 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene is CC1=C(C2c3ccccc3CC2C)[C@H]2C[C@@H](C1)C2(C)C.
What is the InChIKey of 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene?
The InChIKey is GFPJNEDFSFSXRT-PELCJYOWSA-N. The full InChI is InChI=1S/C20H26/c1-12-9-14-7-5-6-8-16(14)18(12)19-13(2)10-15-11-17(19)20(15,3)4/h5-8,12,15,17-18H,9-11H2,1-4H3/t12?,15-,17-,18?/m1/s1.
What are the key properties of 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene?
2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene has a molecular weight of 266.43 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 59390096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).