(1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene

C19H26 — CID 171370957

IUPAC(1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@@H]1[C@H]1C=Cc2ccccc21
InChIInChI=1S/C19H26/c1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18/h4-7,9,11,13-14,16,18-19H,8,10,12H2,1-3H3/t14-,16-,18+,19+/m1/s1
InChIKeyNXABRCDKEQDFNJ-JZGRTCEGSA-N
MW254.42 g/mol
LogP5.51
Rot. Bonds2

About (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene

(1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene (PubChem CID 171370957) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene.

Molecular Properties

Compound Name(1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene
PubChem CID171370957
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name(1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@@H]1[C@H]1C=Cc2ccccc21
InChIInChI=1S/C19H26/c1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18/h4-7,9,11,13-14,16,18-19H,8,10,12H2,1-3H3/t14-,16-,18+,19+/m1/s1
InChIKeyNXABRCDKEQDFNJ-JZGRTCEGSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2R,4R)-2-cyclopenta-2,4-dien-1-yl-4-methyl-1-propan-2-ylcyclohexane
CID 15360728
(1S)-2-[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]acetyl]-1H-isoquinoline-1-carbonitrile
CID 102380879
1-cyclohexyl-1H-indene
CID 13380096
(4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 162070754
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153428714
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
CID 10096491
CID 10096491
(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
CID 16695575
CID 10277160
CID 10277160
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene?
The IUPAC name of (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene (CID 171370957) is (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene.
What is the SMILES notation for (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene?
The canonical SMILES for (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene is CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[C@H]1C=Cc2ccccc21.
What is the InChIKey of (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene?
The InChIKey is NXABRCDKEQDFNJ-JZGRTCEGSA-N. The full InChI is InChI=1S/C19H26/c1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18/h4-7,9,11,13-14,16,18-19H,8,10,12H2,1-3H3/t14-,16-,18+,19+/m1/s1.
What are the key properties of (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene?
(1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene has a molecular weight of 254.42 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-indene is sourced from PubChem (CID 171370957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).