(1-ethylcyclohexyl) methyl carbonate

C10H18O3 — CID 59539840

IUPAC(1-ethylcyclohexyl) methyl carbonate
SMILESCCC1(OC(=O)OC)CCCCC1
InChIInChI=1S/C10H18O3/c1-3-10(13-9(11)12-2)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyHVFJPMMZOKOBNQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.88
Rot. Bonds2

About (1-ethylcyclohexyl) methyl carbonate

(1-ethylcyclohexyl) methyl carbonate (PubChem CID 59539840) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-ethylcyclohexyl) methyl carbonate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) methyl carbonate
PubChem CID59539840
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1-ethylcyclohexyl) methyl carbonate
SMILESCCC1(OC(=O)OC)CCCCC1
InChIInChI=1S/C10H18O3/c1-3-10(13-9(11)12-2)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyHVFJPMMZOKOBNQ-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylcyclopentyl) methyl carbonate
CID 59539839
(1-ethylcyclohexyl) 2-iodobutanoate
CID 130346146
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971
methyl (1-methylcycloheptyl) carbonate
CID 172553116
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872
bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
1-ethyl-1-methoxycyclohexane
CID 21039859
(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
CID 123394961
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
4-(1-ethylcyclohexyl)oxy-4-oxobut-2-enoic acid
CID 54551047
(1-ethylcyclopentyl) 2-methylpentanoate
CID 70972017
(1-ethylcyclohexyl) 3-ethyl-2,2,3-trimethylpentanoate
CID 123431668

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) methyl carbonate?
The IUPAC name of (1-ethylcyclohexyl) methyl carbonate (CID 59539840) is (1-ethylcyclohexyl) methyl carbonate.
What is the SMILES notation for (1-ethylcyclohexyl) methyl carbonate?
The canonical SMILES for (1-ethylcyclohexyl) methyl carbonate is CCC1(OC(=O)OC)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) methyl carbonate?
The InChIKey is HVFJPMMZOKOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-10(13-9(11)12-2)7-5-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of (1-ethylcyclohexyl) methyl carbonate?
(1-ethylcyclohexyl) methyl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) methyl carbonate is sourced from PubChem (CID 59539840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).