3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol

C10H20O3 — CID 10103953

IUPAC3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol
SMILESCCC(O)(C=C(C)C)COCOC
InChIInChI=1S/C10H20O3/c1-5-10(11,6-9(2)3)7-13-8-12-4/h6,11H,5,7-8H2,1-4H3
InChIKeyCVBPIRYWNDRXCU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds6

About 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol

3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol (PubChem CID 10103953) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol.

Molecular Properties

Compound Name3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol
PubChem CID10103953
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol
SMILESCCC(O)(C=C(C)C)COCOC
InChIInChI=1S/C10H20O3/c1-5-10(11,6-9(2)3)7-13-8-12-4/h6,11H,5,7-8H2,1-4H3
InChIKeyCVBPIRYWNDRXCU-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(Methoxymethoxy)-2,3-dimethyl-1,4,5-hexatrien-3-ol
CID 24973592
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
CID 101696243
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-ol
CID 101696244
(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
CID 129322527
(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
CID 134892497
(4S,5Z,7R)-7-(2-methoxyethoxymethoxymethyl)-5-methylnona-1,5-dien-4-ol
CID 118123382
(Z)-3-(methoxymethoxymethyl)hex-4-en-3-ol
CID 10035089
(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol
CID 10035090
(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol
CID 10058018
3-(Methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol
CID 10059036
3-(Methoxymethoxymethyl)-2-methylpent-1-en-3-ol
CID 10261588
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol?
The IUPAC name of 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol (CID 10103953) is 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol.
What is the SMILES notation for 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol?
The canonical SMILES for 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol is CCC(O)(C=C(C)C)COCOC.
What is the InChIKey of 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol?
The InChIKey is CVBPIRYWNDRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-10(11,6-9(2)3)7-13-8-12-4/h6,11H,5,7-8H2,1-4H3.
What are the key properties of 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol?
3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxymethyl)-5-methylhex-4-en-3-ol is sourced from PubChem (CID 10103953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).