(2S,5S)-2-pentyl-5-prop-2-enyloxolane

C12H22O — CID 10702595

IUPAC(2S,5S)-2-pentyl-5-prop-2-enyloxolane
SMILESC=CC[C@@H]1CC[C@H](CCCCC)O1
InChIInChI=1S/C12H22O/c1-3-5-6-8-12-10-9-11(13-12)7-4-2/h4,11-12H,2-3,5-10H2,1H3/t11-,12+/m1/s1
InChIKeyKXEGXLJVZKUTDN-NEPJUHHUSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds6

About (2S,5S)-2-pentyl-5-prop-2-enyloxolane

(2S,5S)-2-pentyl-5-prop-2-enyloxolane (PubChem CID 10702595) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S,5S)-2-pentyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name(2S,5S)-2-pentyl-5-prop-2-enyloxolane
PubChem CID10702595
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2S,5S)-2-pentyl-5-prop-2-enyloxolane
SMILESC=CC[C@@H]1CC[C@H](CCCCC)O1
InChIInChI=1S/C12H22O/c1-3-5-6-8-12-10-9-11(13-12)7-4-2/h4,11-12H,2-3,5-10H2,1H3/t11-,12+/m1/s1
InChIKeyKXEGXLJVZKUTDN-NEPJUHHUSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-Hexyl-5-prop-2-enyldioxolane
CID 155147312
1-Decene, 10-methoxy-
CID 3085890
2-(Prop-2-en-1-yl)oxolane
CID 13613775
4-Methoxy dec-1-ene
CID 11829889
4-Methoxy-1-octene
CID 12657009
2-Heptyl-2,3-dihydrofuran
CID 14091327
1-Undecene, 4-methoxy-
CID 10261807
4-Methoxy-1-dodecene
CID 10420283
4-Prop-2-enoxynon-1-ene
CID 11480845
2-Hexyl-2,3-dihydrofuran
CID 13538413
11-Methoxyundec-1-ene
CID 15635905
2-Nonyl-2,3-dihydrofuran
CID 85847060

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-pentyl-5-prop-2-enyloxolane?
The IUPAC name of (2S,5S)-2-pentyl-5-prop-2-enyloxolane (CID 10702595) is (2S,5S)-2-pentyl-5-prop-2-enyloxolane.
What is the SMILES notation for (2S,5S)-2-pentyl-5-prop-2-enyloxolane?
The canonical SMILES for (2S,5S)-2-pentyl-5-prop-2-enyloxolane is C=CC[C@@H]1CC[C@H](CCCCC)O1.
What is the InChIKey of (2S,5S)-2-pentyl-5-prop-2-enyloxolane?
The InChIKey is KXEGXLJVZKUTDN-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-6-8-12-10-9-11(13-12)7-4-2/h4,11-12H,2-3,5-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2S,5S)-2-pentyl-5-prop-2-enyloxolane?
(2S,5S)-2-pentyl-5-prop-2-enyloxolane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-pentyl-5-prop-2-enyloxolane is sourced from PubChem (CID 10702595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).