carbonic acid;1,2-diethylcyclohexane

C12H24O6 — CID 70579518

IUPACcarbonic acid;1,2-diethylcyclohexane
SMILESCCC1CCCCC1CC.O=C(O)O.O=C(O)O
InChIInChI=1S/C10H20.2CH2O3/c1-3-9-7-5-6-8-10(9)4-2;2*2-1(3)4/h9-10H,3-8H2,1-2H3;2*(H2,2,3,4)
InChIKeyZPUYEGWEUWKNLS-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.06
Rot. Bonds2

About carbonic acid;1,2-diethylcyclohexane

carbonic acid;1,2-diethylcyclohexane (PubChem CID 70579518) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is carbonic acid;1,2-diethylcyclohexane.

Molecular Properties

Compound Namecarbonic acid;1,2-diethylcyclohexane
PubChem CID70579518
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Namecarbonic acid;1,2-diethylcyclohexane
SMILESCCC1CCCCC1CC.O=C(O)O.O=C(O)O
InChIInChI=1S/C10H20.2CH2O3/c1-3-9-7-5-6-8-10(9)4-2;2*2-1(3)4/h9-10H,3-8H2,1-2H3;2*(H2,2,3,4)
InChIKeyZPUYEGWEUWKNLS-UHFFFAOYSA-N
XLogP4.06
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

CID 160611346
CID 160611346
1-(2-ethylcyclohexyl)propan-2-one
CID 79429645
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
2-(2-ethylcyclohexyl)sulfanylacetic acid
CID 63862645
1-(2-ethylcyclohexyl)pentan-3-one
CID 64520349
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
1-(2-ethylcyclohexyl)-3-methoxypropan-2-one
CID 79417158
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
2-ethylcyclohexane-1-thiol acetate
CID 22215884
[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,2-diethylcyclohexane?
The IUPAC name of carbonic acid;1,2-diethylcyclohexane (CID 70579518) is carbonic acid;1,2-diethylcyclohexane.
What is the SMILES notation for carbonic acid;1,2-diethylcyclohexane?
The canonical SMILES for carbonic acid;1,2-diethylcyclohexane is CCC1CCCCC1CC.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1,2-diethylcyclohexane?
The InChIKey is ZPUYEGWEUWKNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2CH2O3/c1-3-9-7-5-6-8-10(9)4-2;2*2-1(3)4/h9-10H,3-8H2,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;1,2-diethylcyclohexane?
carbonic acid;1,2-diethylcyclohexane has a molecular weight of 264.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,2-diethylcyclohexane is sourced from PubChem (CID 70579518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).