(1-methoxycyclohexyl)cyclononane

C16H30O — CID 70179360

IUPAC(1-methoxycyclohexyl)cyclononane
SMILESCOC1(C2CCCCCCCC2)CCCCC1
InChIInChI=1S/C16H30O/c1-17-16(13-9-6-10-14-16)15-11-7-4-2-3-5-8-12-15/h15H,2-14H2,1H3
InChIKeyVCTCTKANUDJBBC-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.09
Rot. Bonds2

About (1-methoxycyclohexyl)cyclononane

(1-methoxycyclohexyl)cyclononane (PubChem CID 70179360) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (1-methoxycyclohexyl)cyclononane.

Molecular Properties

Compound Name(1-methoxycyclohexyl)cyclononane
PubChem CID70179360
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(1-methoxycyclohexyl)cyclononane
SMILESCOC1(C2CCCCCCCC2)CCCCC1
InChIInChI=1S/C16H30O/c1-17-16(13-9-6-10-14-16)15-11-7-4-2-3-5-8-12-15/h15H,2-14H2,1H3
InChIKeyVCTCTKANUDJBBC-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)cyclononane?
The IUPAC name of (1-methoxycyclohexyl)cyclononane (CID 70179360) is (1-methoxycyclohexyl)cyclononane.
What is the SMILES notation for (1-methoxycyclohexyl)cyclononane?
The canonical SMILES for (1-methoxycyclohexyl)cyclononane is COC1(C2CCCCCCCC2)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)cyclononane?
The InChIKey is VCTCTKANUDJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-17-16(13-9-6-10-14-16)15-11-7-4-2-3-5-8-12-15/h15H,2-14H2,1H3.
What are the key properties of (1-methoxycyclohexyl)cyclononane?
(1-methoxycyclohexyl)cyclononane has a molecular weight of 238.41 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)cyclononane is sourced from PubChem (CID 70179360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).