butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane

C23H50 — CID 142573663

IUPACbutane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane
SMILESC.C=C(CC(CC)C1CCC(C)CC1)C(C)C.CC.CCCC
InChIInChI=1S/C16H30.C4H10.C2H6.CH4/c1-6-15(11-14(5)12(2)3)16-9-7-13(4)8-10-16;1-3-4-2;1-2;/h12-13,15-16H,5-11H2,1-4H3;3-4H2,1-2H3;1-2H3;1H4
InChIKeyKJELSJYKHFYYRR-UHFFFAOYSA-N
MW326.65 g/mol
LogP8.91
Rot. Bonds6

About butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane

butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane (PubChem CID 142573663) has the molecular formula C23H50 and a molecular weight of 326.65 g/mol. Its IUPAC name is butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane.

Molecular Properties

Compound Namebutane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane
PubChem CID142573663
Molecular FormulaC23H50
Molecular Weight326.65 g/mol
Exact Mass326.39
IUPAC Namebutane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane
SMILESC.C=C(CC(CC)C1CCC(C)CC1)C(C)C.CC.CCCC
InChIInChI=1S/C16H30.C4H10.C2H6.CH4/c1-6-15(11-14(5)12(2)3)16-9-7-13(4)8-10-16;1-3-4-2;1-2;/h12-13,15-16H,5-11H2,1-4H3;3-4H2,1-2H3;1-2H3;1H4
InChIKeyKJELSJYKHFYYRR-UHFFFAOYSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 58.91
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

formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
pentan-3-ylcyclopropane
CID 19042038
1-butan-2-yl-4-methylcyclohexane
CID 20676481
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657

Frequently Asked Questions

What is the IUPAC name of butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane?
The IUPAC name of butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane (CID 142573663) is butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane.
What is the SMILES notation for butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane?
The canonical SMILES for butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane is C.C=C(CC(CC)C1CCC(C)CC1)C(C)C.CC.CCCC.
What is the InChIKey of butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane?
The InChIKey is KJELSJYKHFYYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C4H10.C2H6.CH4/c1-6-15(11-14(5)12(2)3)16-9-7-13(4)8-10-16;1-3-4-2;1-2;/h12-13,15-16H,5-11H2,1-4H3;3-4H2,1-2H3;1-2H3;1H4.
What are the key properties of butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane?
butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane has a molecular weight of 326.65 g/mol, XLogP of 8.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane is sourced from PubChem (CID 142573663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).