(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol

C11H18O3 — CID 101257482

IUPAC(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol
SMILESC#C[C@@H](OCOC)[C@H](C)C/C=C/CO
InChIInChI=1S/C11H18O3/c1-4-11(14-9-13-3)10(2)7-5-6-8-12/h1,5-6,10-12H,7-9H2,2-3H3/b6-5+/t10-,11-/m1/s1
InChIKeyUOMIIYNLVQQLJI-XIJCSBCJSA-N
MW198.26 g/mol
LogP1.18
Rot. Bonds7

About (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol

(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol (PubChem CID 101257482) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol.

Molecular Properties

Compound Name(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol
PubChem CID101257482
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol
SMILESC#C[C@@H](OCOC)[C@H](C)C/C=C/CO
InChIInChI=1S/C11H18O3/c1-4-11(14-9-13-3)10(2)7-5-6-8-12/h1,5-6,10-12H,7-9H2,2-3H3/b6-5+/t10-,11-/m1/s1
InChIKeyUOMIIYNLVQQLJI-XIJCSBCJSA-N
XLogP1.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.18
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
CID 11205834
(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol
CID 11255150
5-methylhex-2-en-1-ol
CID 12538351
(1S,2S)-2-(methoxymethoxy)-1-phenylbut-3-yn-1-ol
CID 10655873
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 101465372
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
4-(2-methoxyethoxymethoxy)pent-2-en-1-ol
CID 71346102
(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol
CID 90198541
(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol
CID 101156032
(E)-7-hydroxy-3-methylhept-5-en-2-one
CID 131243223

Frequently Asked Questions

What is the IUPAC name of (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol?
The IUPAC name of (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol (CID 101257482) is (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol.
What is the SMILES notation for (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol?
The canonical SMILES for (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol is C#C[C@@H](OCOC)[C@H](C)C/C=C/CO.
What is the InChIKey of (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol?
The InChIKey is UOMIIYNLVQQLJI-XIJCSBCJSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-11(14-9-13-3)10(2)7-5-6-8-12/h1,5-6,10-12H,7-9H2,2-3H3/b6-5+/t10-,11-/m1/s1.
What are the key properties of (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol?
(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol is sourced from PubChem (CID 101257482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).