(5S)-5-(methoxymethoxy)hexadecan-1-ol

C18H38O3 — CID 134973522

IUPAC(5S)-5-(methoxymethoxy)hexadecan-1-ol
SMILESCCCCCCCCCCC[C@@H](CCCCO)OCOC
InChIInChI=1S/C18H38O3/c1-3-4-5-6-7-8-9-10-11-14-18(21-17-20-2)15-12-13-16-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyQOTLOLHNQVNHOO-SFHVURJKSA-N
MW302.50 g/mol
LogP5.06
Rot. Bonds17

About (5S)-5-(methoxymethoxy)hexadecan-1-ol

(5S)-5-(methoxymethoxy)hexadecan-1-ol (PubChem CID 134973522) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is (5S)-5-(methoxymethoxy)hexadecan-1-ol.

Molecular Properties

Compound Name(5S)-5-(methoxymethoxy)hexadecan-1-ol
PubChem CID134973522
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name(5S)-5-(methoxymethoxy)hexadecan-1-ol
SMILESCCCCCCCCCCC[C@@H](CCCCO)OCOC
InChIInChI=1S/C18H38O3/c1-3-4-5-6-7-8-9-10-11-14-18(21-17-20-2)15-12-13-16-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyQOTLOLHNQVNHOO-SFHVURJKSA-N
XLogP5.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 55.06
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'}

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Related Compounds

12-methoxyoctadecan-1-ol
CID 18347175
12-butoxyoctadecan-1-ol
CID 139752074
5-docosan-5-yloxypentan-1-ol
CID 139884775
(4S)-4-methoxyundecan-1-ol
CID 53329455
3-ethoxyheptane-1,7-diol
CID 57097049
2-docosan-10-yloxyethanol
CID 173141834
ethyl (4S)-4-(methoxymethoxy)octadecanoate
CID 71567301
9-ethoxyoctadecane
CID 87148376
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
4-ethoxyoctan-1-ol
CID 21254369
4-(methoxymethoxy)non-1-ene
CID 14592865
dodecan-1-ol;methoxyethane
CID 174401185

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethoxy)hexadecan-1-ol?
The IUPAC name of (5S)-5-(methoxymethoxy)hexadecan-1-ol (CID 134973522) is (5S)-5-(methoxymethoxy)hexadecan-1-ol.
What is the SMILES notation for (5S)-5-(methoxymethoxy)hexadecan-1-ol?
The canonical SMILES for (5S)-5-(methoxymethoxy)hexadecan-1-ol is CCCCCCCCCCC[C@@H](CCCCO)OCOC.
What is the InChIKey of (5S)-5-(methoxymethoxy)hexadecan-1-ol?
The InChIKey is QOTLOLHNQVNHOO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H38O3/c1-3-4-5-6-7-8-9-10-11-14-18(21-17-20-2)15-12-13-16-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-5-(methoxymethoxy)hexadecan-1-ol?
(5S)-5-(methoxymethoxy)hexadecan-1-ol has a molecular weight of 302.50 g/mol, XLogP of 5.06, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethoxy)hexadecan-1-ol is sourced from PubChem (CID 134973522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).