(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol

C14H24O7 — CID 11255150

IUPAC(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol
SMILESC#C[C@@H](OCOC)[C@@H](OCOC)[C@@H](OCOC)[C@@H](O)C=C
InChIInChI=1S/C14H24O7/c1-6-11(15)13(20-9-17-4)14(21-10-18-5)12(7-2)19-8-16-3/h2,6,11-15H,1,8-10H2,3-5H3/t11-,12+,13-,14+/m0/s1
InChIKeyCDKIPXGKTUZBST-RFQIPJPRSA-N
MW304.34 g/mol
LogP0.13
Rot. Bonds13

About (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol

(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol (PubChem CID 11255150) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol.

Molecular Properties

Compound Name(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol
PubChem CID11255150
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol
SMILESC#C[C@@H](OCOC)[C@@H](OCOC)[C@@H](OCOC)[C@@H](O)C=C
InChIInChI=1S/C14H24O7/c1-6-11(15)13(20-9-17-4)14(21-10-18-5)12(7-2)19-8-16-3/h2,6,11-15H,1,8-10H2,3-5H3/t11-,12+,13-,14+/m0/s1
InChIKeyCDKIPXGKTUZBST-RFQIPJPRSA-N
XLogP0.13
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
CID 135016264
(1S,2S)-2-(methoxymethoxy)-1-phenylbut-3-yn-1-ol
CID 10655873
(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol
CID 101257482
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-enoic acid
CID 102458905
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
CID 11082024
(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol
CID 44557469
(3R)-3-(methoxymethoxy)pent-4-en-2-one
CID 102143717
4-aminohex-1-en-5-yn-3-ol
CID 20545573
(2E,4S,5S)-4,5-bis(methoxymethoxy)hepta-2,6-dienenitrile
CID 102288316
(3R,4S,5R)-4-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]oct-1-en-7-yne-3,5-diol
CID 11325348
3-methoxy-4-(methoxymethyl)hex-5-en-2-ol
CID 123992627

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol?
The IUPAC name of (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol (CID 11255150) is (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol.
What is the SMILES notation for (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol?
The canonical SMILES for (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol is C#C[C@@H](OCOC)[C@@H](OCOC)[C@@H](OCOC)[C@@H](O)C=C.
What is the InChIKey of (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol?
The InChIKey is CDKIPXGKTUZBST-RFQIPJPRSA-N. The full InChI is InChI=1S/C14H24O7/c1-6-11(15)13(20-9-17-4)14(21-10-18-5)12(7-2)19-8-16-3/h2,6,11-15H,1,8-10H2,3-5H3/t11-,12+,13-,14+/m0/s1.
What are the key properties of (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol?
(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol has a molecular weight of 304.34 g/mol, XLogP of 0.13, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol is sourced from PubChem (CID 11255150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).