(3S,4R)-4-pent-4-enyloxolan-3-ol

C9H16O2 — CID 66897009

IUPAC(3S,4R)-4-pent-4-enyloxolan-3-ol
SMILESC=CCCC[C@@H]1COC[C@H]1O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-8-6-11-7-9(8)10/h2,8-10H,1,3-7H2/t8-,9-/m1/s1
InChIKeyABZCXRWPERHSHQ-RKDXNWHRSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds4

About (3S,4R)-4-pent-4-enyloxolan-3-ol

(3S,4R)-4-pent-4-enyloxolan-3-ol (PubChem CID 66897009) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3S,4R)-4-pent-4-enyloxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-pent-4-enyloxolan-3-ol
PubChem CID66897009
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3S,4R)-4-pent-4-enyloxolan-3-ol
SMILESC=CCCC[C@@H]1COC[C@H]1O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-8-6-11-7-9(8)10/h2,8-10H,1,3-7H2/t8-,9-/m1/s1
InChIKeyABZCXRWPERHSHQ-RKDXNWHRSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

rac-(3R,4S)-4-(prop-2-en-1-yl)oxolan-3-ol
CID 68664941
Monohydnocarpyl glyceryl ether
CID 329686
Monochaulmoogryl glyceryl ether
CID 329687
(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol
CID 167099168
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176613058
1-Methoxy-4-methyloct-7-en-2-ol
CID 90389631
(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
CID 11571865
(2S,3R,5S)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
CID 16220344
(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol
CID 16726133
(3R,4R)-4-prop-1-en-2-yl-2,2-bis(prop-2-enyl)oxolan-3-ol
CID 101847806
(2R,3S,4S)-2-(hydroxymethyl)-4-prop-2-enyl-2,3,4,5-tetrahydrofuran-5-id-3-ol;uranium
CID 135036985
(3R,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
CID 11344250

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-pent-4-enyloxolan-3-ol?
The IUPAC name of (3S,4R)-4-pent-4-enyloxolan-3-ol (CID 66897009) is (3S,4R)-4-pent-4-enyloxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-pent-4-enyloxolan-3-ol?
The canonical SMILES for (3S,4R)-4-pent-4-enyloxolan-3-ol is C=CCCC[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-pent-4-enyloxolan-3-ol?
The InChIKey is ABZCXRWPERHSHQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-8-6-11-7-9(8)10/h2,8-10H,1,3-7H2/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-pent-4-enyloxolan-3-ol?
(3S,4R)-4-pent-4-enyloxolan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-pent-4-enyloxolan-3-ol is sourced from PubChem (CID 66897009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).