(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol

C9H18O3 — CID 71601285

IUPAC(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol
SMILESC=C[C@H](OCOC)C(C)(C)CO
InChIInChI=1S/C9H18O3/c1-5-8(12-7-11-4)9(2,3)6-10/h5,8,10H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyOYOYPUPNEBVQLL-QMMMGPOBSA-N
MW174.24 g/mol
LogP1.18
Rot. Bonds6

About (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol

(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol (PubChem CID 71601285) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol.

Molecular Properties

Compound Name(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol
PubChem CID71601285
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol
SMILESC=C[C@H](OCOC)C(C)(C)CO
InChIInChI=1S/C9H18O3/c1-5-8(12-7-11-4)9(2,3)6-10/h5,8,10H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyOYOYPUPNEBVQLL-QMMMGPOBSA-N
XLogP1.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
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

(3R)-3-(methoxymethoxy)pent-4-en-1-ol
CID 46192663
(2R,4S)-4-(methoxymethoxy)hex-5-en-2-ol
CID 56834401
5,5-Dimethyl-4-vinyl-1,3-dioxane
CID 129721824
(5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol
CID 53483517
5-Hydroxy-4,4-dimethyl-1-methoxy-3-methoxy-methyloxy-1-pentene
CID 129743353
5-Hydroxy-4,4-dimethyl-1-methoxy-3-methoxymethyloxy-1-pentene
CID 129743421
(2R,4R)-4-(methoxymethoxy)hex-5-en-2-ol
CID 135022297
(3S)-2,2-dimethyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 11053025
(3S)-2,2-dimethyl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol
CID 23599527
(3S)-2,2-dimethyl-3-[(2S)-oxan-2-yl]oxypent-4-en-1-ol
CID 23599528
3-Methoxy-2,2-dimethylpent-4-en-1-ol;rubidium(1+)
CID 57614708
3-Methoxy-2,2-dimethylpent-4-en-1-ol
CID 57614709

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol?
The IUPAC name of (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol (CID 71601285) is (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol.
What is the SMILES notation for (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol?
The canonical SMILES for (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol is C=C[C@H](OCOC)C(C)(C)CO.
What is the InChIKey of (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol?
The InChIKey is OYOYPUPNEBVQLL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-8(12-7-11-4)9(2,3)6-10/h5,8,10H,1,6-7H2,2-4H3/t8-/m0/s1.
What are the key properties of (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol?
(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol is sourced from PubChem (CID 71601285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).