(7-propyl-oxacycloundec-2-yl)methanol

C14H28O2 — CID 67748681

IUPAC(7-propyl-oxacycloundec-2-yl)methanol
SMILESCCCC1CCCCOC(CO)CCCC1
InChIInChI=1S/C14H28O2/c1-2-7-13-8-3-4-10-14(12-15)16-11-6-5-9-13/h13-15H,2-12H2,1H3
InChIKeyJBMPPJLAOQCRIP-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds3

About (7-propyl-oxacycloundec-2-yl)methanol

(7-propyl-oxacycloundec-2-yl)methanol (PubChem CID 67748681) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (7-propyl-oxacycloundec-2-yl)methanol.

Molecular Properties

Compound Name(7-propyl-oxacycloundec-2-yl)methanol
PubChem CID67748681
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(7-propyl-oxacycloundec-2-yl)methanol
SMILESCCCC1CCCCOC(CO)CCCC1
InChIInChI=1S/C14H28O2/c1-2-7-13-8-3-4-10-14(12-15)16-11-6-5-9-13/h13-15H,2-12H2,1H3
InChIKeyJBMPPJLAOQCRIP-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-propyl-oxacycloundec-2-yl)methanol?
The IUPAC name of (7-propyl-oxacycloundec-2-yl)methanol (CID 67748681) is (7-propyl-oxacycloundec-2-yl)methanol.
What is the SMILES notation for (7-propyl-oxacycloundec-2-yl)methanol?
The canonical SMILES for (7-propyl-oxacycloundec-2-yl)methanol is CCCC1CCCCOC(CO)CCCC1.
What is the InChIKey of (7-propyl-oxacycloundec-2-yl)methanol?
The InChIKey is JBMPPJLAOQCRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-7-13-8-3-4-10-14(12-15)16-11-6-5-9-13/h13-15H,2-12H2,1H3.
What are the key properties of (7-propyl-oxacycloundec-2-yl)methanol?
(7-propyl-oxacycloundec-2-yl)methanol has a molecular weight of 228.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propyl-oxacycloundec-2-yl)methanol is sourced from PubChem (CID 67748681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).