(4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene

C12H24O3 — CID 153447615

IUPAC(4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene
SMILESC=C(C)C[C@H](C)OCC(OCC)OCC
InChIInChI=1S/C12H24O3/c1-6-13-12(14-7-2)9-15-11(5)8-10(3)4/h11-12H,3,6-9H2,1-2,4-5H3/t11-/m0/s1
InChIKeyKWJVTIYFVUTMFZ-NSHDSACASA-N
MW216.32 g/mol
LogP2.76
Rot. Bonds9

About (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene

(4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene (PubChem CID 153447615) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene.

Molecular Properties

Compound Name(4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene
PubChem CID153447615
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene
SMILESC=C(C)C[C@H](C)OCC(OCC)OCC
InChIInChI=1S/C12H24O3/c1-6-13-12(14-7-2)9-15-11(5)8-10(3)4/h11-12H,3,6-9H2,1-2,4-5H3/t11-/m0/s1
InChIKeyKWJVTIYFVUTMFZ-NSHDSACASA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-Diethoxy-2-methylbut-1-ene
CID 542747
4-Ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 15032737
(5R,6R)-3-ethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 134992685
(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 134992785
2-(4,8-Dimethylnona-3,7-dienyl)-4-methyl-1,3-dioxolane
CID 11971160
2-(4,8-Dimethylnona-3,7-dien-1-YL)-4-methyl-1,3-dioxolane
CID 53423192
Neral propylene glycol acetal (isomer)
CID 91750486
4-(1-Ethoxyethoxy)-2-methyl-1-butene
CID 10866611
4-Methyl-2,2-di-n-propoxy-4-pentene
CID 21565207
4,4-Diethoxy-2-methylpent-1-ene
CID 21565214
2-Methyl-4,4-bis(3-methylbut-3-enoxy)but-1-ene
CID 21589465
2-Methyl-4,4-dipentoxybut-1-ene
CID 21589466

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene?
The IUPAC name of (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene (CID 153447615) is (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene.
What is the SMILES notation for (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene?
The canonical SMILES for (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene is C=C(C)C[C@H](C)OCC(OCC)OCC.
What is the InChIKey of (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene?
The InChIKey is KWJVTIYFVUTMFZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O3/c1-6-13-12(14-7-2)9-15-11(5)8-10(3)4/h11-12H,3,6-9H2,1-2,4-5H3/t11-/m0/s1.
What are the key properties of (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene?
(4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene has a molecular weight of 216.32 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene is sourced from PubChem (CID 153447615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).