ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]

C21H36 — CID 144506573

IUPACethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]
SMILESCC.CC.Cc1ccc(C)c2c1CC1(CCC(C)CC1)C2
InChIInChI=1S/C17H24.2C2H6/c1-12-6-8-17(9-7-12)10-15-13(2)4-5-14(3)16(15)11-17;2*1-2/h4-5,12H,6-11H2,1-3H3;2*1-2H3
InChIKeyXMQVHPQOMUQXOQ-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.65
Rot. Bonds

About ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]

ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane] (PubChem CID 144506573) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane].

Molecular Properties

Compound Nameethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]
PubChem CID144506573
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Nameethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]
SMILESCC.CC.Cc1ccc(C)c2c1CC1(CCC(C)CC1)C2
InChIInChI=1S/C17H24.2C2H6/c1-12-6-8-17(9-7-12)10-15-13(2)4-5-14(3)16(15)11-17;2*1-2/h4-5,12H,6-11H2,1-3H3;2*1-2H3
InChIKeyXMQVHPQOMUQXOQ-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;7-methylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-ol
CID 144506413
ethane;6-methylspiro[2.5]octane
CID 142110397
3,9-dimethylspiro[5.5]undecane
CID 20825106
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 107512504
9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79424608
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
3-methylspiro[5.6]dodecane
CID 143797283
1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
CID 107512496
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850

Frequently Asked Questions

What is the IUPAC name of ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]?
The IUPAC name of ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane] (CID 144506573) is ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane].
What is the SMILES notation for ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]?
The canonical SMILES for ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane] is CC.CC.Cc1ccc(C)c2c1CC1(CCC(C)CC1)C2.
What is the InChIKey of ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]?
The InChIKey is XMQVHPQOMUQXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24.2C2H6/c1-12-6-8-17(9-7-12)10-15-13(2)4-5-14(3)16(15)11-17;2*1-2/h4-5,12H,6-11H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]?
ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane] has a molecular weight of 288.52 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane] is sourced from PubChem (CID 144506573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).