1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol

C14H24O2 — CID 106651611

IUPAC1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(C1=CCCCCCC1)C1CCOC1
InChIInChI=1S/C14H24O2/c1-14(15,13-9-10-16-11-13)12-7-5-3-2-4-6-8-12/h7,13,15H,2-6,8-11H2,1H3
InChIKeyCDPNLHYGQUHNIT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.05
Rot. Bonds2

About 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol

1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol (PubChem CID 106651611) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol
PubChem CID106651611
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(C1=CCCCCCC1)C1CCOC1
InChIInChI=1S/C14H24O2/c1-14(15,13-9-10-16-11-13)12-7-5-3-2-4-6-8-12/h7,13,15H,2-6,8-11H2,1H3
InChIKeyCDPNLHYGQUHNIT-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol (CID 106651611) is 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol is CC(O)(C1=CCCCCCC1)C1CCOC1.
What is the InChIKey of 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol?
The InChIKey is CDPNLHYGQUHNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(15,13-9-10-16-11-13)12-7-5-3-2-4-6-8-12/h7,13,15H,2-6,8-11H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol?
1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol has a molecular weight of 224.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 106651611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).