(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol

C10H18O3 — CID 102478541

IUPAC(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
SMILESC=CCC[C@@H](OCOC)[C@H](O)C=C
InChIInChI=1S/C10H18O3/c1-4-6-7-10(9(11)5-2)13-8-12-3/h4-5,9-11H,1-2,6-8H2,3H3/t9-,10-/m1/s1
InChIKeyYQXYUDHNXNEAQY-NXEZZACHSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds8

About (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol

(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol (PubChem CID 102478541) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
PubChem CID102478541
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
SMILESC=CCC[C@@H](OCOC)[C@H](O)C=C
InChIInChI=1S/C10H18O3/c1-4-6-7-10(9(11)5-2)13-8-12-3/h4-5,9-11H,1-2,6-8H2,3H3/t9-,10-/m1/s1
InChIKeyYQXYUDHNXNEAQY-NXEZZACHSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
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

5-(2-Methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
CID 10057979
(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(4R,5R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxan-5-ol
CID 71573609
(4R,5S,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxan-5-ol
CID 129321816
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
(1R,1'R)-1,1'-((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(prop-2-en-1-ol)
CID 12966926
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(1S,2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ene-1,2-diol
CID 13758644
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(2s,3s)-1-Methoxymethyloxy-3-vinyl-5-hexen-2-ol
CID 21593475

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol?
The IUPAC name of (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol (CID 102478541) is (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol.
What is the SMILES notation for (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol?
The canonical SMILES for (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol is C=CCC[C@@H](OCOC)[C@H](O)C=C.
What is the InChIKey of (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol?
The InChIKey is YQXYUDHNXNEAQY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-7-10(9(11)5-2)13-8-12-3/h4-5,9-11H,1-2,6-8H2,3H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol?
(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol is sourced from PubChem (CID 102478541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).