(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene

C10H12 — CID 142094976

IUPAC(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene
SMILESC=C/C=C1/C=CC=C(C)C1
InChIInChI=1S/C10H12/c1-3-5-10-7-4-6-9(2)8-10/h3-7H,1,8H2,2H3/b10-5-
InChIKeyFEWZRFXRRMOETN-YHYXMXQVSA-N
MW132.21 g/mol
LogP3.01
Rot. Bonds1

About (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene

(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene (PubChem CID 142094976) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene
PubChem CID142094976
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene
SMILESC=C/C=C1/C=CC=C(C)C1
InChIInChI=1S/C10H12/c1-3-5-10-7-4-6-9(2)8-10/h3-7H,1,8H2,2H3/b10-5-
InChIKeyFEWZRFXRRMOETN-YHYXMXQVSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene?
The IUPAC name of (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene (CID 142094976) is (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene?
The canonical SMILES for (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene is C=C/C=C1/C=CC=C(C)C1.
What is the InChIKey of (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene?
The InChIKey is FEWZRFXRRMOETN-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H12/c1-3-5-10-7-4-6-9(2)8-10/h3-7H,1,8H2,2H3/b10-5-.
What are the key properties of (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene?
(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene has a molecular weight of 132.21 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene is sourced from PubChem (CID 142094976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).