(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene

C12H16O — CID 142354189

IUPAC(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc(OC)/c1=C/CCC
InChIInChI=1S/C12H16O/c1-4-5-8-11-10(2)7-6-9-12(11)13-3/h6-9H,2,4-5H2,1,3H3/b11-8+
InChIKeyXDMSGLXVJSRMFZ-DHZHZOJOSA-N
MW176.26 g/mol
LogP1.69
Rot. Bonds3

About (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene

(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene (PubChem CID 142354189) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene
PubChem CID142354189
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc(OC)/c1=C/CCC
InChIInChI=1S/C12H16O/c1-4-5-8-11-10(2)7-6-9-12(11)13-3/h6-9H,2,4-5H2,1,3H3/b11-8+
InChIKeyXDMSGLXVJSRMFZ-DHZHZOJOSA-N
XLogP1.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one
CID 101133442
(E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 15970652
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
3-methoxy-2-propylphenol
CID 10607156
2-ethenoxy-1,3-dimethoxybenzene
CID 66367387
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
2-(1-butoxyethenyl)-1,3-dimethoxybenzene
CID 102226574
3-methoxy-2-propylaniline
CID 70555018
(Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 59165112
2-butyl-1,3-dimethoxybenzene
CID 524840
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232

Frequently Asked Questions

What is the IUPAC name of (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene (CID 142354189) is (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene is C=c1cccc(OC)/c1=C/CCC.
What is the InChIKey of (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene?
The InChIKey is XDMSGLXVJSRMFZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H16O/c1-4-5-8-11-10(2)7-6-9-12(11)13-3/h6-9H,2,4-5H2,1,3H3/b11-8+.
What are the key properties of (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene?
(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene has a molecular weight of 176.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 142354189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).