12-methoxyoctadecan-1-ol

C19H40O2 — CID 18347175

IUPAC12-methoxyoctadecan-1-ol
SMILESCCCCCCC(CCCCCCCCCCCO)OC
InChIInChI=1S/C19H40O2/c1-3-4-5-13-16-19(21-2)17-14-11-9-7-6-8-10-12-15-18-20/h19-20H,3-18H2,1-2H3
InChIKeyUFBXWTNOEZDSEN-UHFFFAOYSA-N
MW300.53 g/mol
LogP5.87
Rot. Bonds17

About 12-methoxyoctadecan-1-ol

12-methoxyoctadecan-1-ol (PubChem CID 18347175) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 12-methoxyoctadecan-1-ol.

Molecular Properties

Compound Name12-methoxyoctadecan-1-ol
PubChem CID18347175
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name12-methoxyoctadecan-1-ol
SMILESCCCCCCC(CCCCCCCCCCCO)OC
InChIInChI=1S/C19H40O2/c1-3-4-5-13-16-19(21-2)17-14-11-9-7-6-8-10-12-15-18-20/h19-20H,3-18H2,1-2H3
InChIKeyUFBXWTNOEZDSEN-UHFFFAOYSA-N
XLogP5.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-methoxyundecan-1-ol
CID 53329455
7-methoxynonan-1-ol
CID 91306225
(5S)-5-methoxyundecane
CID 118889956
2-methoxyoctadecane-1,18-diol
CID 139894208
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
12-butoxyoctadecan-1-ol
CID 139752074
5-docosan-5-yloxypentan-1-ol
CID 139884775
5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984
16-hydroxyhexadecan-8-yl acetate
CID 175427631
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of 12-methoxyoctadecan-1-ol?
The IUPAC name of 12-methoxyoctadecan-1-ol (CID 18347175) is 12-methoxyoctadecan-1-ol.
What is the SMILES notation for 12-methoxyoctadecan-1-ol?
The canonical SMILES for 12-methoxyoctadecan-1-ol is CCCCCCC(CCCCCCCCCCCO)OC.
What is the InChIKey of 12-methoxyoctadecan-1-ol?
The InChIKey is UFBXWTNOEZDSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-3-4-5-13-16-19(21-2)17-14-11-9-7-6-8-10-12-15-18-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 12-methoxyoctadecan-1-ol?
12-methoxyoctadecan-1-ol has a molecular weight of 300.53 g/mol, XLogP of 5.87, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxyoctadecan-1-ol is sourced from PubChem (CID 18347175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).