1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane

C24H48O — CID 142160829

IUPAC1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane
SMILESC/C=C\C1C(CC)CCCC1CC.CCC1CCCCC1C.CCO
InChIInChI=1S/C13H24.C9H18.C2H6O/c1-4-8-13-11(5-2)9-7-10-12(13)6-3;1-3-9-7-5-4-6-8(9)2;1-2-3/h4,8,11-13H,5-7,9-10H2,1-3H3;8-9H,3-7H2,1-2H3;3H,2H2,1H3/b8-4-;;
InChIKeyHJIWQCBIVVJMIE-QSELPZCXSA-N
MW352.65 g/mol
LogP7.64
Rot. Bonds4

About 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane

1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane (PubChem CID 142160829) has the molecular formula C24H48O and a molecular weight of 352.65 g/mol. Its IUPAC name is 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane.

Molecular Properties

Compound Name1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane
PubChem CID142160829
Molecular FormulaC24H48O
Molecular Weight352.65 g/mol
Exact Mass352.37
IUPAC Name1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane
SMILESC/C=C\C1C(CC)CCCC1CC.CCC1CCCCC1C.CCO
InChIInChI=1S/C13H24.C9H18.C2H6O/c1-4-8-13-11(5-2)9-7-10-12(13)6-3;1-3-9-7-5-4-6-8(9)2;1-2-3/h4,8,11-13H,5-7,9-10H2,1-3H3;8-9H,3-7H2,1-2H3;3H,2H2,1H3/b8-4-;;
InChIKeyHJIWQCBIVVJMIE-QSELPZCXSA-N
XLogP7.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane with MolForge

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Related Compounds

cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
1-ethyl-2-[(Z)-prop-1-enyl]cyclohexane
CID 59840791
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
CID 123341709
1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
CID 143661661
(2-methylcyclopentyl)methanesulfonic acid
CID 19042340
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
CID 160611346
CID 160611346

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane?
The IUPAC name of 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane (CID 142160829) is 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane.
What is the SMILES notation for 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane?
The canonical SMILES for 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane is C/C=C\C1C(CC)CCCC1CC.CCC1CCCCC1C.CCO.
What is the InChIKey of 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane?
The InChIKey is HJIWQCBIVVJMIE-QSELPZCXSA-N. The full InChI is InChI=1S/C13H24.C9H18.C2H6O/c1-4-8-13-11(5-2)9-7-10-12(13)6-3;1-3-9-7-5-4-6-8(9)2;1-2-3/h4,8,11-13H,5-7,9-10H2,1-3H3;8-9H,3-7H2,1-2H3;3H,2H2,1H3/b8-4-;;.
What are the key properties of 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane?
1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane has a molecular weight of 352.65 g/mol, XLogP of 7.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane is sourced from PubChem (CID 142160829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).