1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol

C17H34O3 — CID 67973082

IUPAC1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol
SMILESCCCCCCCCCCCC(O)OCC1(C)COC1
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-16(18)20-15-17(2)13-19-14-17/h16,18H,3-15H2,1-2H3
InChIKeyUBOYUKNAKYNOJX-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.28
Rot. Bonds13

About 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol

1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol (PubChem CID 67973082) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol.

Molecular Properties

Compound Name1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol
PubChem CID67973082
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol
SMILESCCCCCCCCCCCC(O)OCC1(C)COC1
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-16(18)20-15-17(2)13-19-14-17/h16,18H,3-15H2,1-2H3
InChIKeyUBOYUKNAKYNOJX-UHFFFAOYSA-N
XLogP4.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.28
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

3-[4-(1,1-dimethoxyethyl)dodecyl]-3-methyloxetane
CID 151843357
3-methyl-3-octyloxetane
CID 162658167
3-[1,3-bis[(3-methyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-methyloxetane
CID 58988708
1-methoxydodecan-1-ol
CID 19981343
1-methoxytetradecan-1-ol
CID 19981330
1-methoxyhenicosan-1-ol
CID 138403001
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
3-[4-(1,1-diethoxyethyl)dodecyl]-3-methyloxetane
CID 150046806
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
1-undecoxybutan-1-ol
CID 139971924
1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-octan-2-ylguanidine
CID 111828793
6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane
CID 166880914

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol?
The IUPAC name of 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol (CID 67973082) is 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol.
What is the SMILES notation for 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol?
The canonical SMILES for 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol is CCCCCCCCCCCC(O)OCC1(C)COC1.
What is the InChIKey of 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol?
The InChIKey is UBOYUKNAKYNOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-16(18)20-15-17(2)13-19-14-17/h16,18H,3-15H2,1-2H3.
What are the key properties of 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol?
1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 4.28, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyloxetan-3-yl)methoxy]dodecan-1-ol is sourced from PubChem (CID 67973082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).