3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate

C14H18O2 — CID 88767541

IUPAC3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate
SMILESO=COCCCc1cccc2c1CCCC2
InChIInChI=1S/C14H18O2/c15-11-16-10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h3,6-7,11H,1-2,4-5,8-10H2
InChIKeyRKOMLJVIFJGIRY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.67
Rot. Bonds5

About 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate

3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate (PubChem CID 88767541) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate
PubChem CID88767541
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate
SMILESO=COCCCc1cccc2c1CCCC2
InChIInChI=1S/C14H18O2/c15-11-16-10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h3,6-7,11H,1-2,4-5,8-10H2
InChIKeyRKOMLJVIFJGIRY-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenylpropyl formate
CID 61010
Ethyl 2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 12322859
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl formate
CID 101840048
[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl] formate
CID 101923610
1-Naphthaleneethanol, acetate
CID 592920
3-Naphthalen-1-ylbut-3-enyl acetate
CID 102256819
3-(Naphthalen-1-yl)propyl acetate
CID 132515297
Naphthalene, 2-(3-methoxypropyl)-
CID 11469714
3-(Naphthalen-2-yl)propyl acetate
CID 11481585
1-(2-Methoxyethyl)naphthalene
CID 15635901
2-(4-Methoxybutyl)naphthalene
CID 54126591
1,2,3,4-Tetrahydronaphthalen-2-yl formate
CID 88796970

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate (CID 88767541) is 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate is O=COCCCc1cccc2c1CCCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate?
The InChIKey is RKOMLJVIFJGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-11-16-10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h3,6-7,11H,1-2,4-5,8-10H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate?
3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate has a molecular weight of 218.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate is sourced from PubChem (CID 88767541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).