3-tetradecoxycyclohexan-1-ol

C20H40O2 — CID 173215393

IUPAC3-tetradecoxycyclohexan-1-ol
SMILESCCCCCCCCCCCCCCOC1CCCC(O)C1
InChIInChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-20-16-14-15-19(21)18-20/h19-21H,2-18H2,1H3
InChIKeyIZMOOHBPYYYNJR-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.01
Rot. Bonds14

About 3-tetradecoxycyclohexan-1-ol

3-tetradecoxycyclohexan-1-ol (PubChem CID 173215393) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 3-tetradecoxycyclohexan-1-ol.

Molecular Properties

Compound Name3-tetradecoxycyclohexan-1-ol
PubChem CID173215393
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name3-tetradecoxycyclohexan-1-ol
SMILESCCCCCCCCCCCCCCOC1CCCC(O)C1
InChIInChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-20-16-14-15-19(21)18-20/h19-21H,2-18H2,1H3
InChIKeyIZMOOHBPYYYNJR-UHFFFAOYSA-N
XLogP6.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.01
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

3-(3-methoxypropoxy)cyclohexan-1-ol
CID 79619447
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
10-butoxycyclooctadecan-1-ol
CID 91298202
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
butoxycyclobutane
CID 54057236
8-hexoxyoxecan-3-ol
CID 173215315
10-hexoxy-oxacyclotetradecan-3-ol
CID 173215494
heptoxycyclopropane
CID 54099544
1-butyl-3-(3-pentoxycyclohexyl)cyclohexane
CID 70406034
dodecyl 3-hydroxycyclohexane-1-carboxylate
CID 71033477
1-pentoxy-3-(4-propylcyclohexyl)cyclohexane
CID 23040994

Frequently Asked Questions

What is the IUPAC name of 3-tetradecoxycyclohexan-1-ol?
The IUPAC name of 3-tetradecoxycyclohexan-1-ol (CID 173215393) is 3-tetradecoxycyclohexan-1-ol.
What is the SMILES notation for 3-tetradecoxycyclohexan-1-ol?
The canonical SMILES for 3-tetradecoxycyclohexan-1-ol is CCCCCCCCCCCCCCOC1CCCC(O)C1.
What is the InChIKey of 3-tetradecoxycyclohexan-1-ol?
The InChIKey is IZMOOHBPYYYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-20-16-14-15-19(21)18-20/h19-21H,2-18H2,1H3.
What are the key properties of 3-tetradecoxycyclohexan-1-ol?
3-tetradecoxycyclohexan-1-ol has a molecular weight of 312.54 g/mol, XLogP of 6.01, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetradecoxycyclohexan-1-ol is sourced from PubChem (CID 173215393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).