10-butoxycyclooctadecan-1-ol

C22H44O2 — CID 91298202

IUPAC10-butoxycyclooctadecan-1-ol
SMILESCCCCOC1CCCCCCCCC(O)CCCCCCCC1
InChIInChI=1S/C22H44O2/c1-2-3-20-24-22-18-14-10-6-4-8-12-16-21(23)17-13-9-5-7-11-15-19-22/h21-23H,2-20H2,1H3
InChIKeyQPNNJHSZYRHJFG-UHFFFAOYSA-N
MW340.59 g/mol
LogP6.79
Rot. Bonds4

About 10-butoxycyclooctadecan-1-ol

10-butoxycyclooctadecan-1-ol (PubChem CID 91298202) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 10-butoxycyclooctadecan-1-ol.

Molecular Properties

Compound Name10-butoxycyclooctadecan-1-ol
PubChem CID91298202
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name10-butoxycyclooctadecan-1-ol
SMILESCCCCOC1CCCCCCCCC(O)CCCCCCCC1
InChIInChI=1S/C22H44O2/c1-2-3-20-24-22-18-14-10-6-4-8-12-16-21(23)17-13-9-5-7-11-15-19-22/h21-23H,2-20H2,1H3
InChIKeyQPNNJHSZYRHJFG-UHFFFAOYSA-N
XLogP6.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 56.79
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

butoxycyclopentane;ethane-1,2-diol
CID 174670164
butoxycyclobutane
CID 54057236
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
10-hexoxy-oxacyclotetradecan-3-ol
CID 173215494
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
3-tetradecoxycyclohexan-1-ol
CID 173215393
8-hexoxyoxecan-3-ol
CID 173215315
propoxycyclooctane
CID 54078990
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
cyclohexanol;dodecoxymethanol
CID 157186825
2-butoxyethoxycyclobutane
CID 150038799

Frequently Asked Questions

What is the IUPAC name of 10-butoxycyclooctadecan-1-ol?
The IUPAC name of 10-butoxycyclooctadecan-1-ol (CID 91298202) is 10-butoxycyclooctadecan-1-ol.
What is the SMILES notation for 10-butoxycyclooctadecan-1-ol?
The canonical SMILES for 10-butoxycyclooctadecan-1-ol is CCCCOC1CCCCCCCCC(O)CCCCCCCC1.
What is the InChIKey of 10-butoxycyclooctadecan-1-ol?
The InChIKey is QPNNJHSZYRHJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-2-3-20-24-22-18-14-10-6-4-8-12-16-21(23)17-13-9-5-7-11-15-19-22/h21-23H,2-20H2,1H3.
What are the key properties of 10-butoxycyclooctadecan-1-ol?
10-butoxycyclooctadecan-1-ol has a molecular weight of 340.59 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butoxycyclooctadecan-1-ol is sourced from PubChem (CID 91298202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).