1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol

C14H28O3 — CID 176894837

IUPAC1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol
SMILESC=CCC(O)(COCC(C)C)COCC(C)C
InChIInChI=1S/C14H28O3/c1-6-7-14(15,10-16-8-12(2)3)11-17-9-13(4)5/h6,12-13,15H,1,7-11H2,2-5H3
InChIKeyYOPVBCOIEQYJFL-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.64
Rot. Bonds10

About 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol

1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol (PubChem CID 176894837) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol
PubChem CID176894837
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol
SMILESC=CCC(O)(COCC(C)C)COCC(C)C
InChIInChI=1S/C14H28O3/c1-6-7-14(15,10-16-8-12(2)3)11-17-9-13(4)5/h6,12-13,15H,1,7-11H2,2-5H3
InChIKeyYOPVBCOIEQYJFL-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol
CID 162408582
1-Methyl-3-butenyl 3-methyl-3-hydroxybutyl ether
CID 534863
2-Methyl-2-prop-2-enoxypent-4-en-1-ol
CID 10583026
2-Methoxy-2-prop-2-enylpropane-1,3-diol
CID 14605474
2-Methoxy-2-propan-2-ylpent-4-en-1-ol
CID 23384820
3-(2-Hydroxyethoxymethyl)pent-1-en-3-ol
CID 23505030
5-Ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol
CID 57299979
(2S)-2-methoxy-2-propan-2-ylpent-4-en-1-ol
CID 59039528
(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol
CID 59911274

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol (CID 176894837) is 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol is C=CCC(O)(COCC(C)C)COCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol?
The InChIKey is YOPVBCOIEQYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-6-7-14(15,10-16-8-12(2)3)11-17-9-13(4)5/h6,12-13,15H,1,7-11H2,2-5H3.
What are the key properties of 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol?
1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol has a molecular weight of 244.37 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol is sourced from PubChem (CID 176894837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).