1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol

C15H25FO3 — CID 123765383

IUPAC1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol
SMILESCOC1C(F)CCC2(CO2)C1CC(O)CC=C(C)C
InChIInChI=1S/C15H25FO3/c1-10(2)4-5-11(17)8-12-14(18-3)13(16)6-7-15(12)9-19-15/h4,11-14,17H,5-9H2,1-3H3
InChIKeyVTCVSBMSUSSDBX-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.63
Rot. Bonds5

About 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol

1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol (PubChem CID 123765383) has the molecular formula C15H25FO3 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol
PubChem CID123765383
Molecular FormulaC15H25FO3
Molecular Weight272.36 g/mol
Exact Mass272.18
IUPAC Name1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol
SMILESCOC1C(F)CCC2(CO2)C1CC(O)CC=C(C)C
InChIInChI=1S/C15H25FO3/c1-10(2)4-5-11(17)8-12-14(18-3)13(16)6-7-15(12)9-19-15/h4,11-14,17H,5-9H2,1-3H3
InChIKeyVTCVSBMSUSSDBX-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-(2-Methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octane-5,6-diol
CID 128394
5-Demethoxyfumagillol
CID 46192947
Cordycol
CID 71519647
(3R,4R,5S,6S)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
CID 163063636
FR 65814
CID 13848821
(3R,4R,5S,6S)-4-[(2R,3S)-2-Methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
CID 13848819
(3R,4S,5S,6S)-6-fluoro-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 88931310
(3R,4S,5S,6S,7S)-7-fluoro-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 88931336
(3R,4S,5S)-6,6-difluoro-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 88931374
6,6-Difluoro-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 123313953
6-Fluoro-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 123509632
7-Fluoro-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 123601331

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol?
The IUPAC name of 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol (CID 123765383) is 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol.
What is the SMILES notation for 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol?
The canonical SMILES for 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol is COC1C(F)CCC2(CO2)C1CC(O)CC=C(C)C.
What is the InChIKey of 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol?
The InChIKey is VTCVSBMSUSSDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO3/c1-10(2)4-5-11(17)8-12-14(18-3)13(16)6-7-15(12)9-19-15/h4,11-14,17H,5-9H2,1-3H3.
What are the key properties of 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol?
1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol has a molecular weight of 272.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-5-methoxy-1-oxaspiro[2.5]octan-4-yl)-5-methylhex-4-en-2-ol is sourced from PubChem (CID 123765383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).