benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C22H28O2 — CID 174582130

IUPACbenzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.O=COCc1ccccc1
InChIInChI=1S/C14H20.C8H8O2/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;9-7-10-6-8-4-2-1-3-5-8/h7-14H,1-6H2;1-5,7H,6H2
InChIKeyWHRTTZVGEQRJCS-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.68
Rot. Bonds3

About benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 174582130) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Namebenzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID174582130
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Namebenzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.O=COCc1ccccc1
InChIInChI=1S/C14H20.C8H8O2/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;9-7-10-6-8-4-2-1-3-5-8/h7-14H,1-6H2;1-5,7H,6H2
InChIKeyWHRTTZVGEQRJCS-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane 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

benzyl formate;2-phenyladamantane
CID 162139148
benzyl formate;2-methylazetidine
CID 159394402
benzyl formate;ethane;4-fluoro-1-methylpiperidine
CID 143937887
benzyl formate;(3R,4R)-4-fluoropyrrolidin-3-amine
CID 174927682
benzyl formate;(6S)-6-methylpiperazin-2-one
CID 174951053
benzyl formate;1H-pyrazole
CID 175258603
benzyl formate;1-methylpyrrolidine;2-oxopropanal
CID 142105796
[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
CID 118067597
benzyl formate;(3S,4S)-4-ethenyl-3-fluoropyrrolidin-2-one
CID 161079088
benzyl formate;piperidin-3-ylhydrazine
CID 174774253
benzyl formate;1-methyl-2-methylsulfonylpyrrolidine
CID 174511816
benzyl formate;tert-butyl N-[(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 174724044

Frequently Asked Questions

What is the IUPAC name of benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 174582130) is benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is C1C2CC3C4CC5CC(C14)C(C2)C3C5.O=COCc1ccccc1.
What is the InChIKey of benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is WHRTTZVGEQRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C8H8O2/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;9-7-10-6-8-4-2-1-3-5-8/h7-14H,1-6H2;1-5,7H,6H2.
What are the key properties of benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 324.46 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 174582130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).