[chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate

C16H26ClInO4 — CID 144651017

IUPAC[chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)O[In](Cl)OC(=O)C1CCCCC1C
InChIInChI=1S/2C8H14O2.ClH.In/c2*1-6-4-2-3-5-7(6)8(9)10;;/h2*6-7H,2-5H2,1H3,(H,9,10);1H;/q;;;+3/p-3
InChIKeyWEYVLUKRTBAKGW-UHFFFAOYSA-K
MW432.65 g/mol
LogP3.95
Rot. Bonds4

About [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate

[chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate (PubChem CID 144651017) has the molecular formula C16H26ClInO4 and a molecular weight of 432.65 g/mol. Its IUPAC name is [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate
PubChem CID144651017
Molecular FormulaC16H26ClInO4
Molecular Weight432.65 g/mol
Exact Mass432.06
IUPAC Name[chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)O[In](Cl)OC(=O)C1CCCCC1C
InChIInChI=1S/2C8H14O2.ClH.In/c2*1-6-4-2-3-5-7(6)8(9)10;;/h2*6-7H,2-5H2,1H3,(H,9,10);1H;/q;;;+3/p-3
InChIKeyWEYVLUKRTBAKGW-UHFFFAOYSA-K
XLogP3.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.65
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

chloromethyl 2-methylcyclohexane-1-carboxylate
CID 141258978
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
ethane;(2-methylcyclohexanecarbonyl)oxymethyl 2-methylcyclohexane-1-carboxylate
CID 91131520
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-methylcyclooctane-1-carboxylic acid
CID 21039885
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 161025451
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
2-bromo-1-[(1R,2R)-2-methylcyclohexyl]ethanone
CID 93494508

Frequently Asked Questions

What is the IUPAC name of [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate?
The IUPAC name of [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate (CID 144651017) is [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate?
The canonical SMILES for [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate is CC1CCCCC1C(=O)O[In](Cl)OC(=O)C1CCCCC1C.
What is the InChIKey of [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate?
The InChIKey is WEYVLUKRTBAKGW-UHFFFAOYSA-K. The full InChI is InChI=1S/2C8H14O2.ClH.In/c2*1-6-4-2-3-5-7(6)8(9)10;;/h2*6-7H,2-5H2,1H3,(H,9,10);1H;/q;;;+3/p-3.
What are the key properties of [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate?
[chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate has a molecular weight of 432.65 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(2-methylcyclohexanecarbonyl)oxyindiganyl] 2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 144651017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).