1-methyl-2-prop-2-enylcyclohexane

C10H18 — CID 15643404

IUPAC1-methyl-2-prop-2-enylcyclohexane
SMILESC=CCC1CCCCC1C
InChIInChI=1S/C10H18/c1-3-6-10-8-5-4-7-9(10)2/h3,9-10H,1,4-8H2,2H3
InChIKeyYCTAQBABGBMANQ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds2

About 1-methyl-2-prop-2-enylcyclohexane

1-methyl-2-prop-2-enylcyclohexane (PubChem CID 15643404) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-methyl-2-prop-2-enylcyclohexane
PubChem CID15643404
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methyl-2-prop-2-enylcyclohexane
SMILESC=CCC1CCCCC1C
InChIInChI=1S/C10H18/c1-3-6-10-8-5-4-7-9(10)2/h3,9-10H,1,4-8H2,2H3
InChIKeyYCTAQBABGBMANQ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enylcyclohexane?
The IUPAC name of 1-methyl-2-prop-2-enylcyclohexane (CID 15643404) is 1-methyl-2-prop-2-enylcyclohexane.
What is the SMILES notation for 1-methyl-2-prop-2-enylcyclohexane?
The canonical SMILES for 1-methyl-2-prop-2-enylcyclohexane is C=CCC1CCCCC1C.
What is the InChIKey of 1-methyl-2-prop-2-enylcyclohexane?
The InChIKey is YCTAQBABGBMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-6-10-8-5-4-7-9(10)2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-methyl-2-prop-2-enylcyclohexane?
1-methyl-2-prop-2-enylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enylcyclohexane is sourced from PubChem (CID 15643404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).