methyl (1-methylcycloheptyl) carbonate

C10H18O3 — CID 172553116

IUPACmethyl (1-methylcycloheptyl) carbonate
SMILESCOC(=O)OC1(C)CCCCCC1
InChIInChI=1S/C10H18O3/c1-10(13-9(11)12-2)7-5-3-4-6-8-10/h3-8H2,1-2H3
InChIKeyYDGGDXYVDGIDQL-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.88
Rot. Bonds1

About methyl (1-methylcycloheptyl) carbonate

methyl (1-methylcycloheptyl) carbonate (PubChem CID 172553116) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (1-methylcycloheptyl) carbonate.

Molecular Properties

Compound Namemethyl (1-methylcycloheptyl) carbonate
PubChem CID172553116
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl (1-methylcycloheptyl) carbonate
SMILESCOC(=O)OC1(C)CCCCCC1
InChIInChI=1S/C10H18O3/c1-10(13-9(11)12-2)7-5-3-4-6-8-10/h3-8H2,1-2H3
InChIKeyYDGGDXYVDGIDQL-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

bis(1-methylcyclohexyl) oxalate
CID 154101354
3-methylbutan-2-yl (1-methylcyclohexyl) carbonate
CID 58096721
1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
CID 18731139
bis(1-methylcyclopropyl) carbonate
CID 88996166
(1-methylcyclopentyl) 2-methylpropyl carbonate
CID 54223354
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
CID 177097528
(1-methylcyclohexyl) acetate;propane
CID 143035856
methyl (2-methyloxolan-2-yl) carbonate
CID 139836783
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705

Frequently Asked Questions

What is the IUPAC name of methyl (1-methylcycloheptyl) carbonate?
The IUPAC name of methyl (1-methylcycloheptyl) carbonate (CID 172553116) is methyl (1-methylcycloheptyl) carbonate.
What is the SMILES notation for methyl (1-methylcycloheptyl) carbonate?
The canonical SMILES for methyl (1-methylcycloheptyl) carbonate is COC(=O)OC1(C)CCCCCC1.
What is the InChIKey of methyl (1-methylcycloheptyl) carbonate?
The InChIKey is YDGGDXYVDGIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(13-9(11)12-2)7-5-3-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of methyl (1-methylcycloheptyl) carbonate?
methyl (1-methylcycloheptyl) carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1-methylcycloheptyl) carbonate is sourced from PubChem (CID 172553116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).