1,3-dimethyl-5-prop-1-en-2-ylcyclohexane

C11H20 — CID 90969258

IUPAC1,3-dimethyl-5-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CC(C)CC(C)C1
InChIInChI=1S/C11H20/c1-8(2)11-6-9(3)5-10(4)7-11/h9-11H,1,5-7H2,2-4H3
InChIKeyWMXVQGCFQCADOU-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds1

About 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane

1,3-dimethyl-5-prop-1-en-2-ylcyclohexane (PubChem CID 90969258) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1,3-dimethyl-5-prop-1-en-2-ylcyclohexane
PubChem CID90969258
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1,3-dimethyl-5-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CC(C)CC(C)C1
InChIInChI=1S/C11H20/c1-8(2)11-6-9(3)5-10(4)7-11/h9-11H,1,5-7H2,2-4H3
InChIKeyWMXVQGCFQCADOU-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
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-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane
CID 138718018
cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
CID 130741612
1,2,5-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 90909258
1-(3,5-dimethylcyclohexyl)prop-2-en-1-one
CID 103453666
1,4-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123213374
1-(2,2-dimethylpropyl)-3-prop-1-en-2-ylcyclobutane
CID 162407946
isocyanic acid;1-methyl-4-prop-1-en-2-ylcyclohexane
CID 87750066
CID 153385207
CID 153385207
[1-(dimethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79067139
3-methylcyclobutane-1-carboxylic acid
CID 3044406
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane (CID 90969258) is 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane is C=C(C)C1CC(C)CC(C)C1.
What is the InChIKey of 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane?
The InChIKey is WMXVQGCFQCADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)11-6-9(3)5-10(4)7-11/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane?
1,3-dimethyl-5-prop-1-en-2-ylcyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 90969258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).