(5-but-3-enyl-2-ethyloxolan-2-yl)methanol

C11H20O2 — CID 123182461

IUPAC(5-but-3-enyl-2-ethyloxolan-2-yl)methanol
SMILESC=CCCC1CCC(CC)(CO)O1
InChIInChI=1S/C11H20O2/c1-3-5-6-10-7-8-11(4-2,9-12)13-10/h3,10,12H,1,4-9H2,2H3
InChIKeyHXGXVLQNDYYPBF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds5

About (5-but-3-enyl-2-ethyloxolan-2-yl)methanol

(5-but-3-enyl-2-ethyloxolan-2-yl)methanol (PubChem CID 123182461) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5-but-3-enyl-2-ethyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-but-3-enyl-2-ethyloxolan-2-yl)methanol
PubChem CID123182461
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5-but-3-enyl-2-ethyloxolan-2-yl)methanol
SMILESC=CCCC1CCC(CC)(CO)O1
InChIInChI=1S/C11H20O2/c1-3-5-6-10-7-8-11(4-2,9-12)13-10/h3,10,12H,1,4-9H2,2H3
InChIKeyHXGXVLQNDYYPBF-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
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

(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol
CID 118727265
Cobra-1
CID 9819996
Nerolidol Impurity 4
CID 76958197
Nerolidol Impurity 5
CID 141258656
rel-(3S,6R,7S,10R)-7,10-epoxy-3,7,11-trimethyldodec-1-ene-3,6,11-triol
CID 46886833
(1S,4R)-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-5-ene-1,4-diol
CID 53328174
7,10-Epoxy-2,6,10-trimethyl-dodeca-2,11-dien-6-ol B
CID 6429101
(2S,3R,4S)-4-ethenyl-2-(hydroxymethyl)-2,5,5-trimethyloxolan-3-ol
CID 14589060
(1S,4E,8E,12E,16R)-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,12-triene-1,16,17-triol
CID 24800893
(1R,4E,8E,12E,16R)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,12-triene-1,16,17-triol
CID 24801427
(1R,4E,8E,12R,13R)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,16-triene-1,12,13-triol
CID 101710770
(1S,4S)-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-5-ene-1,4-diol
CID 162872902

Frequently Asked Questions

What is the IUPAC name of (5-but-3-enyl-2-ethyloxolan-2-yl)methanol?
The IUPAC name of (5-but-3-enyl-2-ethyloxolan-2-yl)methanol (CID 123182461) is (5-but-3-enyl-2-ethyloxolan-2-yl)methanol.
What is the SMILES notation for (5-but-3-enyl-2-ethyloxolan-2-yl)methanol?
The canonical SMILES for (5-but-3-enyl-2-ethyloxolan-2-yl)methanol is C=CCCC1CCC(CC)(CO)O1.
What is the InChIKey of (5-but-3-enyl-2-ethyloxolan-2-yl)methanol?
The InChIKey is HXGXVLQNDYYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-10-7-8-11(4-2,9-12)13-10/h3,10,12H,1,4-9H2,2H3.
What are the key properties of (5-but-3-enyl-2-ethyloxolan-2-yl)methanol?
(5-but-3-enyl-2-ethyloxolan-2-yl)methanol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-but-3-enyl-2-ethyloxolan-2-yl)methanol is sourced from PubChem (CID 123182461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).