(2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol

C11H22O3 — CID 54476407

IUPAC(2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol
SMILESCC=CC[C@@H](C)[C@H](CO)OCOCC
InChIInChI=1S/C11H22O3/c1-4-6-7-10(3)11(8-12)14-9-13-5-2/h4,6,10-12H,5,7-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyXLWWXXIYPJIVKS-MNOVXSKESA-N
MW202.29 g/mol
LogP1.96
Rot. Bonds8

About (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol

(2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol (PubChem CID 54476407) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol
PubChem CID54476407
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol
SMILESCC=CC[C@@H](C)[C@H](CO)OCOCC
InChIInChI=1S/C11H22O3/c1-4-6-7-10(3)11(8-12)14-9-13-5-2/h4,6,10-12H,5,7-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyXLWWXXIYPJIVKS-MNOVXSKESA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.96
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'}

Analyze (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,5E)-3-Methyl-5-heptene-1,2-diol
CID 13255032
(2s,3s)-1-Methoxymethyloxy-3-vinyl-5-hexen-2-ol
CID 21593475
5-Methoxymethoxy-9-methyl-deca-1,8-dien-4-ol
CID 53305073
2-Methoxymethoxy-6-methyl-hept-5-en-1-ol
CID 53305655
(2r,4r)-2-(Methoxymethoxy)-4-methylhex-5-en-1-ol
CID 175672766
1,1-Dimethoxy-3,7-dimethyloct-6-en-2-ol
CID 240116
(E)-3-methylhept-5-ene-1,2-diol
CID 13255031
(E,2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol
CID 22842378
(2R,3R)-3-methylhept-5-ene-1,2-diol
CID 54188467
3-Methylhept-5-ene-1,2-diol
CID 54188468
(2S,3S)-2-(methoxymethoxy)-3-prop-2-enylbutane-1,4-diol
CID 57122961
[2-(2-Methylpent-4-enyl)-1,3-dioxolan-4-yl]methanol
CID 69669458

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol?
The IUPAC name of (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol (CID 54476407) is (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol.
What is the SMILES notation for (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol?
The canonical SMILES for (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol is CC=CC[C@@H](C)[C@H](CO)OCOCC.
What is the InChIKey of (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol?
The InChIKey is XLWWXXIYPJIVKS-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22O3/c1-4-6-7-10(3)11(8-12)14-9-13-5-2/h4,6,10-12H,5,7-9H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol?
(2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol is sourced from PubChem (CID 54476407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).