3-but-3-enyl-5,5-dimethyloxolan-3-ol

C10H18O2 — CID 131097877

IUPAC3-but-3-enyl-5,5-dimethyloxolan-3-ol
SMILESC=CCCC1(O)COC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-4-5-6-10(11)7-9(2,3)12-8-10/h4,11H,1,5-8H2,2-3H3
InChIKeyOANJBBBTSVUCJB-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds3

About 3-but-3-enyl-5,5-dimethyloxolan-3-ol

3-but-3-enyl-5,5-dimethyloxolan-3-ol (PubChem CID 131097877) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-but-3-enyl-5,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name3-but-3-enyl-5,5-dimethyloxolan-3-ol
PubChem CID131097877
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-but-3-enyl-5,5-dimethyloxolan-3-ol
SMILESC=CCCC1(O)COC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-4-5-6-10(11)7-9(2,3)12-8-10/h4,11H,1,5-8H2,2-3H3
InChIKeyOANJBBBTSVUCJB-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
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

(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
2-[(4R,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
CID 10375956
(2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol
CID 101107107
(3-Methyl-3-pent-4-enyloxiran-2-yl)methanol
CID 21657992
[(2S,3S)-3-methyl-3-pent-4-enyloxiran-2-yl]methanol
CID 57070885
4-(Pent-4-en-1-yl)oxolan-3-ol
CID 58158107
(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol
CID 59911112
(3R,4S)-4-pent-4-enyloxolan-3-ol
CID 66897008
rac-(3R,4S)-4-(pent-4-en-1-yl)oxolan-3-ol
CID 66897009
(3S)-4-pent-4-enyloxolan-3-ol
CID 68805421
4-Methyl-5-prop-2-enyloxolan-3-ol
CID 89362730

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-5,5-dimethyloxolan-3-ol?
The IUPAC name of 3-but-3-enyl-5,5-dimethyloxolan-3-ol (CID 131097877) is 3-but-3-enyl-5,5-dimethyloxolan-3-ol.
What is the SMILES notation for 3-but-3-enyl-5,5-dimethyloxolan-3-ol?
The canonical SMILES for 3-but-3-enyl-5,5-dimethyloxolan-3-ol is C=CCCC1(O)COC(C)(C)C1.
What is the InChIKey of 3-but-3-enyl-5,5-dimethyloxolan-3-ol?
The InChIKey is OANJBBBTSVUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-10(11)7-9(2,3)12-8-10/h4,11H,1,5-8H2,2-3H3.
What are the key properties of 3-but-3-enyl-5,5-dimethyloxolan-3-ol?
3-but-3-enyl-5,5-dimethyloxolan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-5,5-dimethyloxolan-3-ol is sourced from PubChem (CID 131097877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).