(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane

C14H24O — CID 135037604

IUPAC(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane
SMILESC=CC[C@H]1C[C@H](C(=C)C)[C@@H](CCCC)O1
InChIInChI=1S/C14H24O/c1-5-7-9-14-13(11(3)4)10-12(15-14)8-6-2/h6,12-14H,2-3,5,7-10H2,1,4H3/t12-,13+,14+/m0/s1
InChIKeyXYPIZXFSHRNIID-BFHYXJOUSA-N
MW208.34 g/mol
LogP4.10
Rot. Bonds6

About (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane

(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane (PubChem CID 135037604) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane
PubChem CID135037604
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane
SMILESC=CC[C@H]1C[C@H](C(=C)C)[C@@H](CCCC)O1
InChIInChI=1S/C14H24O/c1-5-7-9-14-13(11(3)4)10-12(15-14)8-6-2/h6,12-14H,2-3,5,7-10H2,1,4H3/t12-,13+,14+/m0/s1
InChIKeyXYPIZXFSHRNIID-BFHYXJOUSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane with MolForge

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Related Compounds

2-[2-(4-Methylcyclohex-3-EN-1-YL)propyl]tetrahydrofuran
CID 3024253
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-
CID 175364
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
(4Z)-4-methyl-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 117902109
4-Methyl-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 117902110
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
(2S,5S)-2-pentyl-5-prop-2-enyloxolane
CID 10702595
(2R,3S)-2-cyclohexyl-3-ethenyloxolane
CID 10877738
2-Prop-2-enyl-1-oxaspiro[4.5]decane
CID 14925029
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
4-Butyl-3-octyl-2-prop-2-enyloxolane
CID 15438011

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane?
The IUPAC name of (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane (CID 135037604) is (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane.
What is the SMILES notation for (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane?
The canonical SMILES for (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane is C=CC[C@H]1C[C@H](C(=C)C)[C@@H](CCCC)O1.
What is the InChIKey of (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane?
The InChIKey is XYPIZXFSHRNIID-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H24O/c1-5-7-9-14-13(11(3)4)10-12(15-14)8-6-2/h6,12-14H,2-3,5,7-10H2,1,4H3/t12-,13+,14+/m0/s1.
What are the key properties of (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane?
(2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane has a molecular weight of 208.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-butyl-3-prop-1-en-2-yl-5-prop-2-enyloxolane is sourced from PubChem (CID 135037604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).