(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol

C10H18O3 — CID 102297137

IUPAC(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
SMILESC=CCC[C@H](/C=C/CO)OCOC
InChIInChI=1S/C10H18O3/c1-3-4-6-10(7-5-8-11)13-9-12-2/h3,5,7,10-11H,1,4,6,8-9H2,2H3/b7-5+/t10-/m1/s1
InChIKeyCXAXOGNDYPZJMG-BREXMAIKSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds8

About (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol

(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol (PubChem CID 102297137) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol.

Molecular Properties

Compound Name(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
PubChem CID102297137
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
SMILESC=CCC[C@H](/C=C/CO)OCOC
InChIInChI=1S/C10H18O3/c1-3-4-6-10(7-5-8-11)13-9-12-2/h3,5,7,10-11H,1,4,6,8-9H2,2H3/b7-5+/t10-/m1/s1
InChIKeyCXAXOGNDYPZJMG-BREXMAIKSA-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

(e)-4r-Hydroxynonenal-dimethylacetal
CID 14159265
(e)-4-Hydroxy-2-nonenal-diethylacetal
CID 14298925
(2R,4S)-4-(methoxymethoxy)hex-5-en-2-ol
CID 56834401
4-Hydroxynonenal-diethylacetal
CID 57319218
methyl [(E)-non-5-en-4-yl] carbonate
CID 101081248
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396
4-Nonene, 1,1,3-triethoxy-
CID 6450414
(2E,4S)-4-[(Tetrahydro-2H-pyran-2-yl)oxy]-2-penten-1-ol
CID 12842695
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(2e)-1,1-Dimethoxyhex-2-en-4-ol
CID 11019160
(5E)-3-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 13025036
(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol
CID 56650372

Frequently Asked Questions

What is the IUPAC name of (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol?
The IUPAC name of (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol (CID 102297137) is (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol.
What is the SMILES notation for (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol?
The canonical SMILES for (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol is C=CCC[C@H](/C=C/CO)OCOC.
What is the InChIKey of (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol?
The InChIKey is CXAXOGNDYPZJMG-BREXMAIKSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-6-10(7-5-8-11)13-9-12-2/h3,5,7,10-11H,1,4,6,8-9H2,2H3/b7-5+/t10-/m1/s1.
What are the key properties of (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol?
(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-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 (2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol is sourced from PubChem (CID 102297137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).