4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate

C14H20O2 — CID 89209334

IUPAC4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate
SMILESO=COCC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H20O2/c15-7-16-6-11-4-10-5-12(11)14-9-2-1-8(3-9)13(10)14/h7-14H,1-6H2
InChIKeyVCAWFRCMXJYYGG-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.48
Rot. Bonds3

About 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate

4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate (PubChem CID 89209334) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate.

Molecular Properties

Compound Name4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate
PubChem CID89209334
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate
SMILESO=COCC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H20O2/c15-7-16-6-11-4-10-5-12(11)14-9-2-1-8(3-9)13(10)14/h7-14H,1-6H2
InChIKeyVCAWFRCMXJYYGG-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 58436095
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-dimethylbutanoate
CID 118041802
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91325104
(2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate
CID 13173577
(2-methylcyclopropyl)methyl formate
CID 89103941
1,1,1,2-tetrafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonic acid
CID 59409403
4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane;bis(triphenylsulfanium)
CID 159391182
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
CID 67964667

Frequently Asked Questions

What is the IUPAC name of 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate?
The IUPAC name of 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate (CID 89209334) is 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate.
What is the SMILES notation for 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate?
The canonical SMILES for 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate is O=COCC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate?
The InChIKey is VCAWFRCMXJYYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-7-16-6-11-4-10-5-12(11)14-9-2-1-8(3-9)13(10)14/h7-14H,1-6H2.
What are the key properties of 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate?
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate has a molecular weight of 220.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate is sourced from PubChem (CID 89209334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).