17-(hydroxymethoxy)heptadecan-7-ol

C18H38O3 — CID 122659082

IUPAC17-(hydroxymethoxy)heptadecan-7-ol
SMILESCCCCCCC(O)CCCCCCCCCCOCO
InChIInChI=1S/C18H38O3/c1-2-3-4-11-14-18(20)15-12-9-7-5-6-8-10-13-16-21-17-19/h18-20H,2-17H2,1H3
InChIKeyRVDQQWPXURBQHL-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.80
Rot. Bonds17

About 17-(hydroxymethoxy)heptadecan-7-ol

17-(hydroxymethoxy)heptadecan-7-ol (PubChem CID 122659082) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 17-(hydroxymethoxy)heptadecan-7-ol.

Molecular Properties

Compound Name17-(hydroxymethoxy)heptadecan-7-ol
PubChem CID122659082
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name17-(hydroxymethoxy)heptadecan-7-ol
SMILESCCCCCCC(O)CCCCCCCCCCOCO
InChIInChI=1S/C18H38O3/c1-2-3-4-11-14-18(20)15-12-9-7-5-6-8-10-13-16-21-17-19/h18-20H,2-17H2,1H3
InChIKeyRVDQQWPXURBQHL-UHFFFAOYSA-N
XLogP4.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
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-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
1,19-dibutoxynonadecan-10-ol
CID 129293593
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
(7R)-hexatriacontan-7-ol
CID 88529159
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of 17-(hydroxymethoxy)heptadecan-7-ol?
The IUPAC name of 17-(hydroxymethoxy)heptadecan-7-ol (CID 122659082) is 17-(hydroxymethoxy)heptadecan-7-ol.
What is the SMILES notation for 17-(hydroxymethoxy)heptadecan-7-ol?
The canonical SMILES for 17-(hydroxymethoxy)heptadecan-7-ol is CCCCCCC(O)CCCCCCCCCCOCO.
What is the InChIKey of 17-(hydroxymethoxy)heptadecan-7-ol?
The InChIKey is RVDQQWPXURBQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-2-3-4-11-14-18(20)15-12-9-7-5-6-8-10-13-16-21-17-19/h18-20H,2-17H2,1H3.
What are the key properties of 17-(hydroxymethoxy)heptadecan-7-ol?
17-(hydroxymethoxy)heptadecan-7-ol has a molecular weight of 302.50 g/mol, XLogP of 4.80, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(hydroxymethoxy)heptadecan-7-ol is sourced from PubChem (CID 122659082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).