(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol

C10H20O3 — CID 134930959

IUPAC(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
SMILESC=C[C@H](OCOCC)[C@@](C)(O)CC
InChIInChI=1S/C10H20O3/c1-5-9(10(4,11)6-2)13-8-12-7-3/h5,9,11H,1,6-8H2,2-4H3/t9-,10-/m0/s1
InChIKeyIMQFMOBVYIAEIZ-UWVGGRQHSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds7

About (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol

(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol (PubChem CID 134930959) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
PubChem CID134930959
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
SMILESC=C[C@H](OCOCC)[C@@](C)(O)CC
InChIInChI=1S/C10H20O3/c1-5-9(10(4,11)6-2)13-8-12-7-3/h5,9,11H,1,6-8H2,2-4H3/t9-,10-/m0/s1
InChIKeyIMQFMOBVYIAEIZ-UWVGGRQHSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-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

4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
4-(Methoxymethoxy)-2-methylhex-5-en-3-ol
CID 12916901
(2s,3s)-1-Methoxymethyloxy-3-vinyl-5-hexen-2-ol
CID 21593475
1-[1-(2-Methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol
CID 134877642
(3R,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930503
(2R)-2-(1-butoxypent-4-enoxy)-2-methylbut-3-en-1-ol
CID 117815816
5-Hexen-3-ol, 4-ethoxy-3-ethyl-
CID 3613711
(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol
CID 10058018
3-(Methoxymethoxymethyl)-2-methylpent-1-en-3-ol
CID 10261588
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562
[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10822436
(3R,4S,5S)-4,5-bis(methoxymethoxy)hepta-1,6-dien-3-ol
CID 11195627

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol?
The IUPAC name of (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol (CID 134930959) is (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol.
What is the SMILES notation for (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol?
The canonical SMILES for (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol is C=C[C@H](OCOCC)[C@@](C)(O)CC.
What is the InChIKey of (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol?
The InChIKey is IMQFMOBVYIAEIZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-9(10(4,11)6-2)13-8-12-7-3/h5,9,11H,1,6-8H2,2-4H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol?
(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol is sourced from PubChem (CID 134930959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).