2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane

C19H32O3 — CID 146530707

IUPAC2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane
SMILESC=C(C)CCCCC[C@@H]1OC(CCC2OCCCO2)CC1=C
InChIInChI=1S/C19H32O3/c1-15(2)8-5-4-6-9-18-16(3)14-17(22-18)10-11-19-20-12-7-13-21-19/h17-19H,1,3-14H2,2H3/t17?,18-/m0/s1
InChIKeyFSVUMXAXBLCUPE-ZVAWYAOSSA-N
MW308.46 g/mol
LogP4.77
Rot. Bonds9

About 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane

2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane (PubChem CID 146530707) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane
PubChem CID146530707
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane
SMILESC=C(C)CCCCC[C@@H]1OC(CCC2OCCCO2)CC1=C
InChIInChI=1S/C19H32O3/c1-15(2)8-5-4-6-9-18-16(3)14-17(22-18)10-11-19-20-12-7-13-21-19/h17-19H,1,3-14H2,2H3/t17?,18-/m0/s1
InChIKeyFSVUMXAXBLCUPE-ZVAWYAOSSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2S,5S)-5-[(3S)-6-iodo-3-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane
CID 146530704
[(3R)-1-[(2S,5S)-5-[2-(1,3-dioxan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodohept-6-en-3-yl] methanesulfonate
CID 146529707
(3R)-1-[(2S,5S)-5-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodohept-6-en-3-ol
CID 146529722
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2,14-dimethylpentadeca-1,14-diene
CID 123962057
(3R,5R)-1-[(2S,5S)-5-butyl-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
CID 58077700
[(3R,5S,7R)-1-[(2S,5S)-5-[2-(1,3-dioxan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-8-[(2S,3R,4R,5R)-3-[(4-ethylphenyl)sulfonylmethyl]-4-methyl-5-[(2R)-2-methylbutyl]oxolan-2-yl]-7-hydroxy-5-methyl-6-methylideneoctan-3-yl] methanesulfonate
CID 159096546
5-(1,3-dioxan-2-yl)pentan-2-one
CID 174893387
5-butyl-2-(6-iodo-3,5-dimethylhept-6-enyl)-3-methylideneoxolane
CID 18716228
methyl (2S)-6-[(2S,5R)-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-methylhexanoate
CID 138976280
(3R,5R)-1-[(2S,5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol
CID 129031595
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114472115

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane (CID 146530707) is 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane is C=C(C)CCCCC[C@@H]1OC(CCC2OCCCO2)CC1=C.
What is the InChIKey of 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane?
The InChIKey is FSVUMXAXBLCUPE-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H32O3/c1-15(2)8-5-4-6-9-18-16(3)14-17(22-18)10-11-19-20-12-7-13-21-19/h17-19H,1,3-14H2,2H3/t17?,18-/m0/s1.
What are the key properties of 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane?
2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane has a molecular weight of 308.46 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5S)-5-(6-methylhept-6-enyl)-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxane is sourced from PubChem (CID 146530707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).