butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene

C14H22 — CID 143871852

IUPACbutane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene
SMILESC=c1cc(C)c(C)cc1=C.CCCC
InChIInChI=1S/C10H12.C4H10/c1-7-5-9(3)10(4)6-8(7)2;1-3-4-2/h5-6H,1-2H2,3-4H3;3-4H2,1-2H3
InChIKeyAIXUGNWWAJHGBG-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.93
Rot. Bonds1

About butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene

butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene (PubChem CID 143871852) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Namebutane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene
PubChem CID143871852
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Namebutane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene
SMILESC=c1cc(C)c(C)cc1=C.CCCC
InChIInChI=1S/C10H12.C4H10/c1-7-5-9(3)10(4)6-8(7)2;1-3-4-2/h5-6H,1-2H2,3-4H3;3-4H2,1-2H3
InChIKeyAIXUGNWWAJHGBG-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene?
The IUPAC name of butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene (CID 143871852) is butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene.
What is the SMILES notation for butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene?
The canonical SMILES for butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene is C=c1cc(C)c(C)cc1=C.CCCC.
What is the InChIKey of butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene?
The InChIKey is AIXUGNWWAJHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C4H10/c1-7-5-9(3)10(4)6-8(7)2;1-3-4-2/h5-6H,1-2H2,3-4H3;3-4H2,1-2H3.
What are the key properties of butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene?
butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene is sourced from PubChem (CID 143871852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).