(4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol

C17H34O3 — CID 71479562

IUPAC(4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol
SMILESC=CC[C@@H](C[C@@H](O)CCCCCCCCC)OCOC
InChIInChI=1S/C17H34O3/c1-4-6-7-8-9-10-11-13-16(18)14-17(12-5-2)20-15-19-3/h5,16-18H,2,4,6-15H2,1,3H3/t16-,17-/m0/s1
InChIKeyAIPFQVCJHMOIEC-IRXDYDNUSA-N
MW286.46 g/mol
LogP4.44
Rot. Bonds15

About (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol

(4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol (PubChem CID 71479562) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol.

Molecular Properties

Compound Name(4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol
PubChem CID71479562
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name(4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol
SMILESC=CC[C@@H](C[C@@H](O)CCCCCCCCC)OCOC
InChIInChI=1S/C17H34O3/c1-4-6-7-8-9-10-11-13-16(18)14-17(12-5-2)20-15-19-3/h5,16-18H,2,4,6-15H2,1,3H3/t16-,17-/m0/s1
InChIKeyAIPFQVCJHMOIEC-IRXDYDNUSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol?
The IUPAC name of (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol (CID 71479562) is (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol.
What is the SMILES notation for (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol?
The canonical SMILES for (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol is C=CC[C@@H](C[C@@H](O)CCCCCCCCC)OCOC.
What is the InChIKey of (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol?
The InChIKey is AIPFQVCJHMOIEC-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H34O3/c1-4-6-7-8-9-10-11-13-16(18)14-17(12-5-2)20-15-19-3/h5,16-18H,2,4,6-15H2,1,3H3/t16-,17-/m0/s1.
What are the key properties of (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol?
(4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol has a molecular weight of 286.46 g/mol, XLogP of 4.44, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol is sourced from PubChem (CID 71479562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).