(1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol

C15H18O — CID 135210489

IUPAC(1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol
SMILESC=C/C=c1/cccc/c1=C(\O)C(C)C(=C)C
InChIInChI=1S/C15H18O/c1-5-8-13-9-6-7-10-14(13)15(16)12(4)11(2)3/h5-10,12,16H,1-2H2,3-4H3/b13-8-,15-14+
InChIKeyFYEFDJRPKHJHFB-GVFKXKCCSA-N
MW214.31 g/mol
LogP2.53
Rot. Bonds3

About (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol

(1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol (PubChem CID 135210489) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol.

Molecular Properties

Compound Name(1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol
PubChem CID135210489
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol
SMILESC=C/C=c1/cccc/c1=C(\O)C(C)C(=C)C
InChIInChI=1S/C15H18O/c1-5-8-13-9-6-7-10-14(13)15(16)12(4)11(2)3/h5-10,12,16H,1-2H2,3-4H3/b13-8-,15-14+
InChIKeyFYEFDJRPKHJHFB-GVFKXKCCSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 59733889
(2R,3S)-butane-1,2,3-triol;(5E,6E)-5-[(2Z)-penta-2,4-dienylidene]-6-prop-2-enylidenecyclohexa-1,3-diene
CID 6398418
3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole
CID 144609119
buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
3-methylbut-3-en-2-ol;toluene
CID 91227774
1-(3-methylbut-3-en-2-ylsulfanyl)ethylbenzene
CID 164914958
2,4-dimethyl-4-phenylpent-1-en-3-ol
CID 115817266
3-methylbut-3-en-2-yloxybenzene
CID 564925
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene
CID 126595609
ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol
CID 143422244
2-methyl-3-phenylbut-3-enal
CID 22151894

Frequently Asked Questions

What is the IUPAC name of (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol?
The IUPAC name of (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol (CID 135210489) is (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol.
What is the SMILES notation for (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol?
The canonical SMILES for (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol is C=C/C=c1/cccc/c1=C(\O)C(C)C(=C)C.
What is the InChIKey of (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol?
The InChIKey is FYEFDJRPKHJHFB-GVFKXKCCSA-N. The full InChI is InChI=1S/C15H18O/c1-5-8-13-9-6-7-10-14(13)15(16)12(4)11(2)3/h5-10,12,16H,1-2H2,3-4H3/b13-8-,15-14+.
What are the key properties of (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol?
(1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol has a molecular weight of 214.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,3-dimethyl-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-en-1-ol is sourced from PubChem (CID 135210489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).