6-butan-2-ylidene-2-methylcyclohexa-1,3-diene

C11H16 — CID 123474573

IUPAC6-butan-2-ylidene-2-methylcyclohexa-1,3-diene
SMILESCCC(C)=C1C=C(C)C=CC1
InChIInChI=1S/C11H16/c1-4-10(3)11-7-5-6-9(2)8-11/h5-6,8H,4,7H2,1-3H3
InChIKeyJPFHUHMBLNGPEJ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.62
Rot. Bonds1

About 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene

6-butan-2-ylidene-2-methylcyclohexa-1,3-diene (PubChem CID 123474573) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-butan-2-ylidene-2-methylcyclohexa-1,3-diene
PubChem CID123474573
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name6-butan-2-ylidene-2-methylcyclohexa-1,3-diene
SMILESCCC(C)=C1C=C(C)C=CC1
InChIInChI=1S/C11H16/c1-4-10(3)11-7-5-6-9(2)8-11/h5-6,8H,4,7H2,1-3H3
InChIKeyJPFHUHMBLNGPEJ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663
(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
methanol;2-methylcyclohexa-1,3-diene;propane
CID 142947667
(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane
CID 123672408
1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene
CID 91079468
6-butan-2-ylidenecyclohex-3-en-1-one
CID 123147722
ethane;2-methylcyclohexa-1,3-diene;propane
CID 144716952
ethane;1-ethoxy-4-methylcyclohepta-1,3,5-triene
CID 164862064
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
1-(3-methylpent-2-enyl)cyclopropene
CID 123369820
2-(6-methylcyclohepta-1,4,6-trien-1-yl)-N,N-dipropylacetamide
CID 143107502
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene?
The IUPAC name of 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene (CID 123474573) is 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene is CCC(C)=C1C=C(C)C=CC1.
What is the InChIKey of 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene?
The InChIKey is JPFHUHMBLNGPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-10(3)11-7-5-6-9(2)8-11/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene?
6-butan-2-ylidene-2-methylcyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylidene-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123474573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).