1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane

C17H32 — CID 123395792

IUPAC1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane
SMILESC=C(CCC)C(C)C(C)C1CCCCC1CC
InChIInChI=1S/C17H32/c1-6-10-13(3)14(4)15(5)17-12-9-8-11-16(17)7-2/h14-17H,3,6-12H2,1-2,4-5H3
InChIKeyNUCIDJMLJVCUDJ-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.83
Rot. Bonds6

About 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane

1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane (PubChem CID 123395792) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane
PubChem CID123395792
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane
SMILESC=C(CCC)C(C)C(C)C1CCCCC1CC
InChIInChI=1S/C17H32/c1-6-10-13(3)14(4)15(5)17-12-9-8-11-16(17)7-2/h14-17H,3,6-12H2,1-2,4-5H3
InChIKeyNUCIDJMLJVCUDJ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
2,3-dimethyl-4-methylideneheptane
CID 123725003
cyclopropyl-(2-ethylcyclohexyl)methanol
CID 63861825
ethane;1-ethyl-2-(3-methylhexan-2-yl)cyclopentane;2-methylbutane
CID 168937920
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907
cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane?
The IUPAC name of 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane (CID 123395792) is 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane.
What is the SMILES notation for 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane?
The canonical SMILES for 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane is C=C(CCC)C(C)C(C)C1CCCCC1CC.
What is the InChIKey of 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane?
The InChIKey is NUCIDJMLJVCUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-6-10-13(3)14(4)15(5)17-12-9-8-11-16(17)7-2/h14-17H,3,6-12H2,1-2,4-5H3.
What are the key properties of 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane?
1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane is sourced from PubChem (CID 123395792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).