(1-methylcyclohexyl) acetate;propane

C12H24O2 — CID 143035856

IUPAC(1-methylcyclohexyl) acetate;propane
SMILESCC(=O)OC1(C)CCCCC1.CCC
InChIInChI=1S/C9H16O2.C3H8/c1-8(10)11-9(2)6-4-3-5-7-9;1-3-2/h3-7H2,1-2H3;3H2,1-2H3
InChIKeyINHGUDLQEKJWRQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.69
Rot. Bonds1

About (1-methylcyclohexyl) acetate;propane

(1-methylcyclohexyl) acetate;propane (PubChem CID 143035856) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1-methylcyclohexyl) acetate;propane.

Molecular Properties

Compound Name(1-methylcyclohexyl) acetate;propane
PubChem CID143035856
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(1-methylcyclohexyl) acetate;propane
SMILESCC(=O)OC1(C)CCCCC1.CCC
InChIInChI=1S/C9H16O2.C3H8/c1-8(10)11-9(2)6-4-3-5-7-9;1-3-2/h3-7H2,1-2H3;3H2,1-2H3
InChIKeyINHGUDLQEKJWRQ-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclobutyl) acetate
CID 13396130
bis(1-methylcyclohexyl) oxalate
CID 154101354
(1-methyl-5-propan-2-ylcyclononyl) acetate
CID 90798249
(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate
CID 58757971
methyl (1-methylcycloheptyl) carbonate
CID 172553116
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
bis(1-methylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386864
(1-hydroxycyclooctyl) acetate
CID 91039609
(1-methylcyclohexyl) 3-iodopropanoate
CID 134285867
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
(1-methylcyclohexyl) 2-tert-butyl-4,4-dimethylhexanoate
CID 123892325
(1-methylcyclohexyl) 2-methyl-2-(sulfanylmethyl)butanoate
CID 174355146

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) acetate;propane?
The IUPAC name of (1-methylcyclohexyl) acetate;propane (CID 143035856) is (1-methylcyclohexyl) acetate;propane.
What is the SMILES notation for (1-methylcyclohexyl) acetate;propane?
The canonical SMILES for (1-methylcyclohexyl) acetate;propane is CC(=O)OC1(C)CCCCC1.CCC.
What is the InChIKey of (1-methylcyclohexyl) acetate;propane?
The InChIKey is INHGUDLQEKJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C3H8/c1-8(10)11-9(2)6-4-3-5-7-9;1-3-2/h3-7H2,1-2H3;3H2,1-2H3.
What are the key properties of (1-methylcyclohexyl) acetate;propane?
(1-methylcyclohexyl) acetate;propane has a molecular weight of 200.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) acetate;propane is sourced from PubChem (CID 143035856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).