(3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol

C9H18O3 — CID 44513722

IUPAC(3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol
SMILESC=C[C@](C)(O)[C@@H](CC)OCOC
InChIInChI=1S/C9H18O3/c1-5-8(12-7-11-4)9(3,10)6-2/h6,8,10H,2,5,7H2,1,3-4H3/t8-,9+/m1/s1
InChIKeyVAKWGFYCAHVZBS-BDAKNGLRSA-N
MW174.24 g/mol
LogP1.32
Rot. Bonds6

About (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol

(3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol (PubChem CID 44513722) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol
PubChem CID44513722
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol
SMILESC=C[C@](C)(O)[C@@H](CC)OCOC
InChIInChI=1S/C9H18O3/c1-5-8(12-7-11-4)9(3,10)6-2/h6,8,10H,2,5,7H2,1,3-4H3/t8-,9+/m1/s1
InChIKeyVAKWGFYCAHVZBS-BDAKNGLRSA-N
XLogP1.32
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 ≤ 51.32
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

4-(Methoxymethoxy)-2-methylhex-5-en-3-ol
CID 12916901
1-[1-(2-Methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol
CID 134877642
(3R,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930503
(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930959
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 117635878
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)but-3-en-2-ol
CID 123533321
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-ol
CID 164046757
3-(Methoxymethoxymethyl)-2-methylpent-1-en-3-ol
CID 10261588
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562
(4S)-3-ethenyl-4-methoxyhepta-1,6-dien-3-ol
CID 10920912
(3R,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol
CID 44513723
(4R)-4-(methoxymethoxy)hex-1-en-3-ol
CID 44516068

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol?
The IUPAC name of (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol (CID 44513722) is (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol.
What is the SMILES notation for (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol?
The canonical SMILES for (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol is C=C[C@](C)(O)[C@@H](CC)OCOC.
What is the InChIKey of (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol?
The InChIKey is VAKWGFYCAHVZBS-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-8(12-7-11-4)9(3,10)6-2/h6,8,10H,2,5,7H2,1,3-4H3/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol?
(3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol has a molecular weight of 174.24 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol is sourced from PubChem (CID 44513722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).