(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol

C11H22O3 — CID 11310196

IUPAC(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol
SMILESCOCOCCC/C=C/[C@@H](O)C(C)C
InChIInChI=1S/C11H22O3/c1-10(2)11(12)7-5-4-6-8-14-9-13-3/h5,7,10-12H,4,6,8-9H2,1-3H3/b7-5+/t11-/m1/s1
InChIKeyYMMNAPGLGBNZTE-OKPNEXGHSA-N
MW202.29 g/mol
LogP1.96
Rot. Bonds8

About (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol

(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol (PubChem CID 11310196) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol.

Molecular Properties

Compound Name(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol
PubChem CID11310196
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol
SMILESCOCOCCC/C=C/[C@@H](O)C(C)C
InChIInChI=1S/C11H22O3/c1-10(2)11(12)7-5-4-6-8-14-9-13-3/h5,7,10-12H,4,6,8-9H2,1-3H3/b7-5+/t11-/m1/s1
InChIKeyYMMNAPGLGBNZTE-OKPNEXGHSA-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'}

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Related Compounds

(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol
CID 11105627
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-ol
CID 101696244
(E,3R)-1,1-dimethoxy-2,2-dimethylhex-4-en-3-ol
CID 101729374
(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol
CID 102077684
(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
CID 102297137
(E)-3-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-en-1-ol
CID 134888858
(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
CID 134922294
(E)-6-(methoxymethoxy)hex-2-en-1-ol
CID 135010347
(2E,5E,8E)-12-(methoxymethoxy)dodeca-2,5,8-trien-1-ol
CID 135010424
(r,e)-7-(Methoxymethoxy)oct-2-ene-1-ol
CID 155294637
4,6-Decadien-3-ol, 2-methyl-9-(2-methoxyethoxymethoxy)-, (E,E)-
CID 5365388
(E)-3-(methoxymethoxy)hex-4-en-1-ol
CID 10419470

Frequently Asked Questions

What is the IUPAC name of (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol?
The IUPAC name of (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol (CID 11310196) is (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol.
What is the SMILES notation for (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol?
The canonical SMILES for (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol is COCOCCC/C=C/[C@@H](O)C(C)C.
What is the InChIKey of (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol?
The InChIKey is YMMNAPGLGBNZTE-OKPNEXGHSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2)11(12)7-5-4-6-8-14-9-13-3/h5,7,10-12H,4,6,8-9H2,1-3H3/b7-5+/t11-/m1/s1.
What are the key properties of (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol?
(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-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 (E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol is sourced from PubChem (CID 11310196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).