(4-methylcyclohexyl)methyl 2-methylpropyl carbonate

C13H24O3 — CID 68661013

IUPAC(4-methylcyclohexyl)methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1CCC(C)CC1
InChIInChI=1S/C13H24O3/c1-10(2)8-15-13(14)16-9-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyLXIMMPLNKZTSBJ-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.62
Rot. Bonds4

About (4-methylcyclohexyl)methyl 2-methylpropyl carbonate

(4-methylcyclohexyl)methyl 2-methylpropyl carbonate (PubChem CID 68661013) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (4-methylcyclohexyl)methyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name(4-methylcyclohexyl)methyl 2-methylpropyl carbonate
PubChem CID68661013
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(4-methylcyclohexyl)methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1CCC(C)CC1
InChIInChI=1S/C13H24O3/c1-10(2)8-15-13(14)16-9-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyLXIMMPLNKZTSBJ-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl piperidin-4-ylmethyl carbonate
CID 79338526
cyclopropylmethyl methyl carbonate
CID 54535586
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
CID 79338390
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
2-(cyclobutylmethoxy)propanamide
CID 164935394
4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide
CID 115409857
2-methylpropyl 2-propylpentyl carbonate
CID 138486320
1-O-ethyl 3-O-[[4-[2-[(4-methylcyclohexyl)methoxycarbonyl]prop-2-enoyloxymethyl]cyclohexyl]methyl] 2-methylidenepropanedioate
CID 130278851
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)methyl 2-methylpropyl carbonate?
The IUPAC name of (4-methylcyclohexyl)methyl 2-methylpropyl carbonate (CID 68661013) is (4-methylcyclohexyl)methyl 2-methylpropyl carbonate.
What is the SMILES notation for (4-methylcyclohexyl)methyl 2-methylpropyl carbonate?
The canonical SMILES for (4-methylcyclohexyl)methyl 2-methylpropyl carbonate is CC(C)COC(=O)OCC1CCC(C)CC1.
What is the InChIKey of (4-methylcyclohexyl)methyl 2-methylpropyl carbonate?
The InChIKey is LXIMMPLNKZTSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(2)8-15-13(14)16-9-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of (4-methylcyclohexyl)methyl 2-methylpropyl carbonate?
(4-methylcyclohexyl)methyl 2-methylpropyl carbonate has a molecular weight of 228.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)methyl 2-methylpropyl carbonate is sourced from PubChem (CID 68661013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).