[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate

C18H32O4 — CID 24959020

IUPAC[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OC1CCCCC1OC(=O)CCC(C)C
InChIInChI=1S/C18H32O4/c1-13(2)9-11-17(19)21-15-7-5-6-8-16(15)22-18(20)12-10-14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyNALYJMQWHNIOBP-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.26
Rot. Bonds8

About [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate

[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate (PubChem CID 24959020) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate.

Molecular Properties

Compound Name[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate
PubChem CID24959020
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OC1CCCCC1OC(=O)CCC(C)C
InChIInChI=1S/C18H32O4/c1-13(2)9-11-17(19)21-15-7-5-6-8-16(15)22-18(20)12-10-14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyNALYJMQWHNIOBP-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-sulfanylpropanoyloxy)cyclohexyl] 3-sulfanylpropanoate
CID 90219367
(3-methylcyclohexyl) 4-methylpentanoate
CID 123314054
4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate
CID 91702025
[2-(4-methylpentoxycarbonyloxy)cyclohexyl] 4-methylpentyl carbonate
CID 23066370
[2-(7-methyloctoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate
CID 23066648
(2-methoxycyclohexyl) hexanoate
CID 78887524
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
1-cyclohexyloxy-5-methylhexan-2-one
CID 174714498
4-[3-(2,2-dimethylpropyl)-2-(3-methylbutyl)cyclohexyl]oxy-4-oxobutanoic acid
CID 174844026
[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate
CID 118272308
6-O-cyclohexyl 1-O-(7-methyloctyl) hexanedioate
CID 140963269
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate?
The IUPAC name of [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate (CID 24959020) is [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate.
What is the SMILES notation for [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate?
The canonical SMILES for [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate is CC(C)CCC(=O)OC1CCCCC1OC(=O)CCC(C)C.
What is the InChIKey of [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate?
The InChIKey is NALYJMQWHNIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-13(2)9-11-17(19)21-15-7-5-6-8-16(15)22-18(20)12-10-14(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate?
[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate has a molecular weight of 312.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate is sourced from PubChem (CID 24959020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).