1-ethoxybicyclo[10.1.0]tridecane

C15H28O — CID 154110609

IUPAC1-ethoxybicyclo[10.1.0]tridecane
SMILESCCOC12CCCCCCCCCCC1C2
InChIInChI=1S/C15H28O/c1-2-16-15-12-10-8-6-4-3-5-7-9-11-14(15)13-15/h14H,2-13H2,1H3
InChIKeyMERVLUJHZNXQQO-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.70
Rot. Bonds2

About 1-ethoxybicyclo[10.1.0]tridecane

1-ethoxybicyclo[10.1.0]tridecane (PubChem CID 154110609) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-ethoxybicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name1-ethoxybicyclo[10.1.0]tridecane
PubChem CID154110609
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-ethoxybicyclo[10.1.0]tridecane
SMILESCCOC12CCCCCCCCCCC1C2
InChIInChI=1S/C15H28O/c1-2-16-15-12-10-8-6-4-3-5-7-9-11-14(15)13-15/h14H,2-13H2,1H3
InChIKeyMERVLUJHZNXQQO-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-methoxycyclohexyl)cyclononane
CID 70179360
(1-cyclohexylcyclopentyl) acetate
CID 12039389
(1-cyclohexylcyclohexyl) formate
CID 18360052
(1-cycloheptylcycloheptyl) formate
CID 18360055
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
2,2-diethoxycyclohexan-1-ol
CID 85385417
(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate
CID 158761805
N-[(1-cyclopentylcyclohexyl)methyl]ethanamine
CID 82932904
(1-cyclohexylcyclohexyl) 3-(diethylamino)propanoate;hydrochloride
CID 6218
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
1-O-(1-cyclopentylcyclohexyl) 4-O-(1-ethylcyclohexyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372407
3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
CID 121273660

Frequently Asked Questions

What is the IUPAC name of 1-ethoxybicyclo[10.1.0]tridecane?
The IUPAC name of 1-ethoxybicyclo[10.1.0]tridecane (CID 154110609) is 1-ethoxybicyclo[10.1.0]tridecane.
What is the SMILES notation for 1-ethoxybicyclo[10.1.0]tridecane?
The canonical SMILES for 1-ethoxybicyclo[10.1.0]tridecane is CCOC12CCCCCCCCCCC1C2.
What is the InChIKey of 1-ethoxybicyclo[10.1.0]tridecane?
The InChIKey is MERVLUJHZNXQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-16-15-12-10-8-6-4-3-5-7-9-11-14(15)13-15/h14H,2-13H2,1H3.
What are the key properties of 1-ethoxybicyclo[10.1.0]tridecane?
1-ethoxybicyclo[10.1.0]tridecane has a molecular weight of 224.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybicyclo[10.1.0]tridecane is sourced from PubChem (CID 154110609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).