(5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene

C16H22O — CID 143964202

IUPAC(5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene
SMILESC=CCCc1c(OC)ccc(=C/C)/c1=C\CC
InChIInChI=1S/C16H22O/c1-5-8-10-15-14(9-6-2)13(7-3)11-12-16(15)17-4/h5,7,9,11-12H,1,6,8,10H2,2-4H3/b13-7-,14-9+
InChIKeyFDRMYBGQROVAJI-MHIRLISYSA-N
MW230.35 g/mol
LogP2.80
Rot. Bonds5

About (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene

(5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene (PubChem CID 143964202) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene
PubChem CID143964202
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene
SMILESC=CCCc1c(OC)ccc(=C/C)/c1=C\CC
InChIInChI=1S/C16H22O/c1-5-8-10-15-14(9-6-2)13(7-3)11-12-16(15)17-4/h5,7,9,11-12H,1,6,8,10H2,2-4H3/b13-7-,14-9+
InChIKeyFDRMYBGQROVAJI-MHIRLISYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-9-ethyl-1-ethylidene-4-methoxyphenalene
CID 157289520
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
1-bromo-4-but-3-enyl-2-methoxybenzene
CID 175669569
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067
2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene
CID 123961498
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
3-(2,3-dimethoxy-6-methylphenyl)propanal
CID 117297640
1-but-3-enoxy-2-methoxybenzene
CID 56629510
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene
CID 122443115
1-(2-but-3-enyl-3-methoxy-5-methylphenyl)-3-ethyl-5-methyl-2-prop-2-enoxybenzene
CID 145054483

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene?
The IUPAC name of (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene (CID 143964202) is (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene?
The canonical SMILES for (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene is C=CCCc1c(OC)ccc(=C/C)/c1=C\CC.
What is the InChIKey of (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene?
The InChIKey is FDRMYBGQROVAJI-MHIRLISYSA-N. The full InChI is InChI=1S/C16H22O/c1-5-8-10-15-14(9-6-2)13(7-3)11-12-16(15)17-4/h5,7,9,11-12H,1,6,8,10H2,2-4H3/b13-7-,14-9+.
What are the key properties of (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene?
(5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene has a molecular weight of 230.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-1-but-3-enyl-5-ethylidene-2-methoxy-6-propylidenecyclohexa-1,3-diene is sourced from PubChem (CID 143964202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).