1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate

C16H28O3 — CID 138626102

IUPAC1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate
SMILESCCC1(COC(C)OC=O)CC2CC(C)CC(C2)C1
InChIInChI=1S/C16H28O3/c1-4-16(10-18-13(3)19-11-17)8-14-5-12(2)6-15(7-14)9-16/h11-15H,4-10H2,1-3H3
InChIKeySCVUOHINUFKXDD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.76
Rot. Bonds6

About 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate

1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate (PubChem CID 138626102) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate.

Molecular Properties

Compound Name1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate
PubChem CID138626102
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate
SMILESCCC1(COC(C)OC=O)CC2CC(C)CC(C2)C1
InChIInChI=1S/C16H28O3/c1-4-16(10-18-13(3)19-11-17)8-14-5-12(2)6-15(7-14)9-16/h11-15H,4-10H2,1-3H3
InChIKeySCVUOHINUFKXDD-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
2-(1-formyloxyethoxy)ethyl adamantane-1-carboxylate
CID 21083076
1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 138626206
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
1-ethyl-3-methyl-1-(3-methylbutan-2-yloxymethyl)-5-methylidenecyclohexane
CID 129164282
1-(3-methylbutoxy)ethyl formate
CID 173200690
[5-chloro-4-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]-2-fluorophenyl]-cyclopentylmethanone
CID 126636591
1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
CID 157344699
2-(1-formyloxyethoxy)acetic acid
CID 88859959
1-[[(2R)-3-methylbutan-2-yl]oxymethyl]adamantane
CID 59584178
1,3-bis(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-2H-imidazole
CID 123306532

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate?
The IUPAC name of 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate (CID 138626102) is 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate.
What is the SMILES notation for 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate?
The canonical SMILES for 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate is CCC1(COC(C)OC=O)CC2CC(C)CC(C2)C1.
What is the InChIKey of 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate?
The InChIKey is SCVUOHINUFKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-4-16(10-18-13(3)19-11-17)8-14-5-12(2)6-15(7-14)9-16/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate?
1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate has a molecular weight of 268.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)methoxy]ethyl formate is sourced from PubChem (CID 138626102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).