6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene

C13H20 — CID 577052

IUPAC6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene
SMILESC=C(C)C1=CC(C(=C)C)CCC1C
InChIInChI=1S/C13H20/c1-9(2)12-7-6-11(5)13(8-12)10(3)4/h8,11-12H,1,3,6-7H2,2,4-5H3
InChIKeySFWPBBHYROOSNZ-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.11
Rot. Bonds2

About 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene

6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene (PubChem CID 577052) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene.

Molecular Properties

Compound Name6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene
PubChem CID577052
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene
SMILESC=C(C)C1=CC(C(=C)C)CCC1C
InChIInChI=1S/C13H20/c1-9(2)12-7-6-11(5)13(8-12)10(3)4/h8,11-12H,1,3,6-7H2,2,4-5H3
InChIKeySFWPBBHYROOSNZ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.11
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 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene?
The IUPAC name of 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene (CID 577052) is 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene.
What is the SMILES notation for 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene?
The canonical SMILES for 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene is C=C(C)C1=CC(C(=C)C)CCC1C.
What is the InChIKey of 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene?
The InChIKey is SFWPBBHYROOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9(2)12-7-6-11(5)13(8-12)10(3)4/h8,11-12H,1,3,6-7H2,2,4-5H3.
What are the key properties of 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene?
6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene has a molecular weight of 176.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-bis(prop-1-en-2-yl)cyclohexene is sourced from PubChem (CID 577052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).