(3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol

C11H22O3 — CID 93476510

IUPAC(3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol
SMILESCCOC(=C[C@H](O)C(C)(C)C)OCC
InChIInChI=1S/C11H22O3/c1-6-13-10(14-7-2)8-9(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyCNEVMGLWXAXEAK-VIFPVBQESA-N
MW202.29 g/mol
LogP2.31
Rot. Bonds5

About (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol

(3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol (PubChem CID 93476510) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol
PubChem CID93476510
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol
SMILESCCOC(=C[C@H](O)C(C)(C)C)OCC
InChIInChI=1S/C11H22O3/c1-6-13-10(14-7-2)8-9(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyCNEVMGLWXAXEAK-VIFPVBQESA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 58473332
CID 58473332
(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol
CID 143076476
ethyl 2-formyl-3,3-dimethylbutanoate
CID 90419513
1,1-diethoxyhex-1-en-3-yloxy(trimethyl)silane
CID 84820357
1-methoxy-4,4-dimethylpent-1-ene-1,3-diol;pentane-2,4-diol;titanium
CID 146899661
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222
(5S)-1,1-diethoxy-5-hydroxyhepta-1,6-dien-3-one
CID 59787433
ethyl 3,3-dimethyl-2-propan-2-ylbutanoate
CID 523552
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
1-ethoxypent-1-ene-1,3-diol
CID 162291132
ethyl (2R,3S)-3-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 11790320

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol?
The IUPAC name of (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol (CID 93476510) is (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol is CCOC(=C[C@H](O)C(C)(C)C)OCC.
What is the InChIKey of (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol?
The InChIKey is CNEVMGLWXAXEAK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22O3/c1-6-13-10(14-7-2)8-9(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol?
(3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol has a molecular weight of 202.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-diethoxy-4,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 93476510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).