(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol

C15H30O3 — CID 56650372

IUPAC(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol
SMILESCCCCCCCCC[C@@H](/C=C/CO)OCOC
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-11-15(12-10-13-16)18-14-17-2/h10,12,15-16H,3-9,11,13-14H2,1-2H3/b12-10+/t15-/m0/s1
InChIKeyPIAMGSSFXCAWIV-PABFRNLHSA-N
MW258.40 g/mol
LogP3.66
Rot. Bonds13

About (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol

(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol (PubChem CID 56650372) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol
PubChem CID56650372
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol
SMILESCCCCCCCCC[C@@H](/C=C/CO)OCOC
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-11-15(12-10-13-16)18-14-17-2/h10,12,15-16H,3-9,11,13-14H2,1-2H3/b12-10+/t15-/m0/s1
InChIKeyPIAMGSSFXCAWIV-PABFRNLHSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
(e)-4r-Hydroxynonenal-dimethylacetal
CID 14159265
(e)-4-Hydroxy-2-nonenal-diethylacetal
CID 14298925
4-Hydroxynonenal-diethylacetal
CID 57319218
(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
(E)-8-(methoxymethoxy)tridec-6-ene
CID 13267433
4-methyl-6-octyl-4H-1,3-dioxine
CID 14017438
4-Hydroxy-2-nonenal-dimethyl acetal
CID 57347575
(E,2S)-4-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 71814732
[(E)-12-hydroxy-1-methoxycarbonyloxydodec-2-en-4-yl] methyl carbonate
CID 101616302
[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 102005455
(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
CID 102297137

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol?
The IUPAC name of (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol (CID 56650372) is (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol.
What is the SMILES notation for (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol?
The canonical SMILES for (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol is CCCCCCCCC[C@@H](/C=C/CO)OCOC.
What is the InChIKey of (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol?
The InChIKey is PIAMGSSFXCAWIV-PABFRNLHSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-11-15(12-10-13-16)18-14-17-2/h10,12,15-16H,3-9,11,13-14H2,1-2H3/b12-10+/t15-/m0/s1.
What are the key properties of (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol?
(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol has a molecular weight of 258.40 g/mol, XLogP of 3.66, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol is sourced from PubChem (CID 56650372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).