[(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene

C16H32O2 — CID 142233546

IUPAC[(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene
SMILESC/C=C1/CCC(CO)O/C1=C/C.C=C.CC.CC
InChIInChI=1S/C10H16O2.2C2H6.C2H4/c1-3-8-5-6-9(7-11)12-10(8)4-2;3*1-2/h3-4,9,11H,5-7H2,1-2H3;2*1-2H3;1-2H2/b8-3-,10-4+;;;
InChIKeyVGJRSKNEGFTTJY-GFNFUAJNSA-N
MW256.43 g/mol
LogP4.86
Rot. Bonds1

About [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene

[(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene (PubChem CID 142233546) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene.

Molecular Properties

Compound Name[(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene
PubChem CID142233546
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name[(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene
SMILESC/C=C1/CCC(CO)O/C1=C/C.C=C.CC.CC
InChIInChI=1S/C10H16O2.2C2H6.C2H4/c1-3-8-5-6-9(7-11)12-10(8)4-2;3*1-2/h3-4,9,11H,5-7H2,1-2H3;2*1-2H3;1-2H2/b8-3-,10-4+;;;
InChIKeyVGJRSKNEGFTTJY-GFNFUAJNSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chaunopyran A
CID 139589702
1-[(6E)-6-[(E)-3-fluorobut-2-enylidene]-5-methylideneoxan-2-yl]ethane-1,2-diol
CID 134377908
5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane
CID 143889307
(6-fluoro-3,4,6,7-tetrahydro-2H-chromen-2-yl)methanol
CID 164007091
Ro09-1549
CID 139584528
2-[4-(2-Hydroxyethoxy)-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl]ethanol
CID 19016661
(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]oxan-3-ol
CID 22848930
2-Methoxy-5-propan-2-ylidenecyclohex-3-en-1-ol
CID 23175216
(2S,3R)-2-deca-2,4,6-trien-2-yloxan-3-ol
CID 57007885
(2S,3R,4S,5S)-2-(4,8-dimethylnona-1,3,7-trienyl)-4-methoxy-5-methyloxan-3-ol
CID 57255946
Californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol
CID 58278990
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanol;yttrium
CID 59118209

Frequently Asked Questions

What is the IUPAC name of [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene?
The IUPAC name of [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene (CID 142233546) is [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene.
What is the SMILES notation for [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene?
The canonical SMILES for [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene is C/C=C1/CCC(CO)O/C1=C/C.C=C.CC.CC.
What is the InChIKey of [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene?
The InChIKey is VGJRSKNEGFTTJY-GFNFUAJNSA-N. The full InChI is InChI=1S/C10H16O2.2C2H6.C2H4/c1-3-8-5-6-9(7-11)12-10(8)4-2;3*1-2/h3-4,9,11H,5-7H2,1-2H3;2*1-2H3;1-2H2/b8-3-,10-4+;;;.
What are the key properties of [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene?
[(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene has a molecular weight of 256.43 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,6E)-5,6-di(ethylidene)oxan-2-yl]methanol;ethane;ethene is sourced from PubChem (CID 142233546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).