1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane

C16H28 — CID 168783124

IUPAC1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane
SMILESCC1(C/C=C\CCCC2(C)CCC2)CCC1
InChIInChI=1S/C16H28/c1-15(11-7-12-15)9-5-3-4-6-10-16(2)13-8-14-16/h3,5H,4,6-14H2,1-2H3/b5-3-
InChIKeyQPPGWFDMHHJLGU-HYXAFXHYSA-N
MW220.40 g/mol
LogP5.48
Rot. Bonds6

About 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane

1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane (PubChem CID 168783124) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane.

Molecular Properties

Compound Name1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane
PubChem CID168783124
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane
SMILESCC1(C/C=C\CCCC2(C)CCC2)CCC1
InChIInChI=1S/C16H28/c1-15(11-7-12-15)9-5-3-4-6-10-16(2)13-8-14-16/h3,5H,4,6-14H2,1-2H3/b5-3-
InChIKeyQPPGWFDMHHJLGU-HYXAFXHYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid
CID 145356488
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CID 123317828
1-methyl-1-(3-methylsulfanylpropyl)cyclopentane
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1-methyl-1-undecylcyclohexane
CID 86137257
3-(1-methylcyclopropyl)propanal
CID 22421116
2-(1-methylcyclobutyl)ethanamine;hydrochloride
CID 55284653
2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
3-(1-methylcyclobutyl)propanenitrile
CID 59843558
N,N-dimethyl-2-(1-methylcyclobutyl)ethanamine;ethane
CID 144987666
1-methyl-1-pentylcyclopropane
CID 524644
4-(1-methylcyclopropyl)butan-1-ol
CID 170156502
6-(1-methylcyclohexyl)hexanamide
CID 154219195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane?
The IUPAC name of 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane (CID 168783124) is 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane.
What is the SMILES notation for 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane?
The canonical SMILES for 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane is CC1(C/C=C\CCCC2(C)CCC2)CCC1.
What is the InChIKey of 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane?
The InChIKey is QPPGWFDMHHJLGU-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H28/c1-15(11-7-12-15)9-5-3-4-6-10-16(2)13-8-14-16/h3,5H,4,6-14H2,1-2H3/b5-3-.
What are the key properties of 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane?
1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane has a molecular weight of 220.40 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane is sourced from PubChem (CID 168783124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).