(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate

C11H18O2 — CID 131856690

IUPAC(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate
SMILESCC1(C)C2CCC(C2)C1COC=O
InChIInChI=1S/C11H18O2/c1-11(2)9-4-3-8(5-9)10(11)6-13-7-12/h7-10H,3-6H2,1-2H3
InChIKeyPYTJKIZDXFHMFD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds3

About (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate

(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate (PubChem CID 131856690) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate.

Molecular Properties

Compound Name(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate
PubChem CID131856690
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate
SMILESCC1(C)C2CCC(C2)C1COC=O
InChIInChI=1S/C11H18O2/c1-11(2)9-4-3-8(5-9)10(11)6-13-7-12/h7-10H,3-6H2,1-2H3
InChIKeyPYTJKIZDXFHMFD-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
CID 54247080
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-enal
CID 53426219
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
3-(2-chloroethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 50741626
(E)-5-[(1S,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]pent-3-en-2-one
CID 19181326
3-[(1R,2S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 14779202
(1S,3S,4R)-2,2-dimethyl-3-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 95241864
(2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate
CID 175580210
1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
CID 21332842
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-en-1-ol
CID 53426218
(3-acetyl-2,2-dimethylcyclobutyl)methyl formate
CID 101008953
5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 71319236

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate?
The IUPAC name of (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate (CID 131856690) is (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate.
What is the SMILES notation for (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate?
The canonical SMILES for (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate is CC1(C)C2CCC(C2)C1COC=O.
What is the InChIKey of (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate?
The InChIKey is PYTJKIZDXFHMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2)9-4-3-8(5-9)10(11)6-13-7-12/h7-10H,3-6H2,1-2H3.
What are the key properties of (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate?
(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate has a molecular weight of 182.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate is sourced from PubChem (CID 131856690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).