4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran

C16H22O — CID 24773406

IUPAC4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(C(=C)/C(=C/C)CC=C)COC1C
InChIInChI=1S/C16H22O/c1-6-9-14(8-3)12(4)16-11-17-13(5)15(16)10-7-2/h6-8,13H,1-2,4,9-11H2,3,5H3/b14-8+
InChIKeyBUXFOGLZTYIGDU-RIYZIHGNSA-N
MW230.35 g/mol
LogP4.36
Rot. Bonds6

About 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran

4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran (PubChem CID 24773406) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran
PubChem CID24773406
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(C(=C)/C(=C/C)CC=C)COC1C
InChIInChI=1S/C16H22O/c1-6-9-14(8-3)12(4)16-11-17-13(5)15(16)10-7-2/h6-8,13H,1-2,4,9-11H2,3,5H3/b14-8+
InChIKeyBUXFOGLZTYIGDU-RIYZIHGNSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
Quinceoxepine
CID 131752304
Cratenin
CID 178328700
(6E,10Z,14E,15aS)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 132544620
(2R)-3-methyl-2-(3-methylbut-3-enyl)-2,5-dihydrofuran
CID 163015296
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-
CID 11708083
2-Hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran
CID 10943714
2-Hexyl-3-prop-2-enyl-2,5-dihydrofuran
CID 11030687

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran (CID 24773406) is 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran is C=CCC1=C(C(=C)/C(=C/C)CC=C)COC1C.
What is the InChIKey of 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is BUXFOGLZTYIGDU-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H22O/c1-6-9-14(8-3)12(4)16-11-17-13(5)15(16)10-7-2/h6-8,13H,1-2,4,9-11H2,3,5H3/b14-8+.
What are the key properties of 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran?
4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 230.35 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-3-ethylidenehexa-1,5-dien-2-yl]-2-methyl-3-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 24773406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).