ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol

C23H42F2O4 — CID 142810527

IUPACethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol
SMILESC=CC(F)(F)C(O)/C(=C/C)OCC.CC.CC.CC1CC=C(C(O)C2(C)CC2)O1
InChIInChI=1S/C10H16O2.C9H14F2O2.2C2H6/c1-7-3-4-8(12-7)9(11)10(2)5-6-10;1-4-7(13-6-3)8(12)9(10,11)5-2;2*1-2/h4,7,9,11H,3,5-6H2,1-2H3;4-5,8,12H,2,6H2,1,3H3;2*1-2H3/b;7-4-;;
InChIKeySZRNMDRIRGKVID-ODLRMCOUSA-N
MW420.58 g/mol
LogP6.00
Rot. Bonds7

About ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol

ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol (PubChem CID 142810527) has the molecular formula C23H42F2O4 and a molecular weight of 420.58 g/mol. Its IUPAC name is ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol.

Molecular Properties

Compound Nameethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol
PubChem CID142810527
Molecular FormulaC23H42F2O4
Molecular Weight420.58 g/mol
Exact Mass420.31
IUPAC Nameethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol
SMILESC=CC(F)(F)C(O)/C(=C/C)OCC.CC.CC.CC1CC=C(C(O)C2(C)CC2)O1
InChIInChI=1S/C10H16O2.C9H14F2O2.2C2H6/c1-7-3-4-8(12-7)9(11)10(2)5-6-10;1-4-7(13-6-3)8(12)9(10,11)5-2;2*1-2/h4,7,9,11H,3,5-6H2,1-2H3;4-5,8,12H,2,6H2,1,3H3;2*1-2H3/b;7-4-;;
InChIKeySZRNMDRIRGKVID-ODLRMCOUSA-N
XLogP6.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)but-3-en-1-ol;ethane;(Z)-4-ethoxy-2-fluoro-5-methylhept-4-en-3-ol
CID 142810205
ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol
CID 142856848
ethane;(Z)-3-ethoxy-6,6-dimethylhept-2-en-4-ol;(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol;(Z)-4-ethoxy-1,1,1-trifluorohex-4-en-3-ol
CID 143076474
(Z)-6,6-dimethyl-3-propoxyhept-2-en-4-ol;2-fluoropropane;(Z)-2-propan-2-yloxybut-2-en-1-ol
CID 142810509
2,3-Dihydrofuran-5-yl-(1-methylcyclopropyl)methanol
CID 102654802
(1-Methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol
CID 142810529

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol?
The IUPAC name of ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol (CID 142810527) is ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol.
What is the SMILES notation for ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol?
The canonical SMILES for ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol is C=CC(F)(F)C(O)/C(=C/C)OCC.CC.CC.CC1CC=C(C(O)C2(C)CC2)O1.
What is the InChIKey of ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol?
The InChIKey is SZRNMDRIRGKVID-ODLRMCOUSA-N. The full InChI is InChI=1S/C10H16O2.C9H14F2O2.2C2H6/c1-7-3-4-8(12-7)9(11)10(2)5-6-10;1-4-7(13-6-3)8(12)9(10,11)5-2;2*1-2/h4,7,9,11H,3,5-6H2,1-2H3;4-5,8,12H,2,6H2,1,3H3;2*1-2H3/b;7-4-;;.
What are the key properties of ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol?
ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol has a molecular weight of 420.58 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-ol;(1-methylcyclopropyl)-(2-methyl-2,3-dihydrofuran-5-yl)methanol is sourced from PubChem (CID 142810527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).