(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate

C11H18O2 — CID 518472

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate
SMILESCC1(C)C2CCC1(C)C(OC=O)C2
InChIInChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
InChIKeyRDWUNORUTVEHJF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.37
Rot. Bonds2

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate (PubChem CID 518472) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate
PubChem CID518472
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate
SMILESCC1(C)C2CCC1(C)C(OC=O)C2
InChIInChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
InChIKeyRDWUNORUTVEHJF-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.37
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

Bornyl acetate, (-)-
CID 93009
Isobornyl propionate
CID 23617864
Borneol propionate
CID 89306
Isobornyl acetate
CID 637531
1,3,3-Trimethyl-2-norbornanyl acetate
CID 107217
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
CID 110801
Acetic acid 1,7,7-trimethyl-bicyclo(2.2.1)hept-2-yl ester
CID 6448
Isobornyl 2-methylbutyrate
CID 22082179
Isobornyl formate
CID 23623868
Isobornyl isovalerate
CID 76957121
Bornyl isovalerate
CID 23623651
Isobornyl isobutyrate
CID 174490

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate (CID 518472) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate is CC1(C)C2CCC1(C)C(OC=O)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate?
The InChIKey is RDWUNORUTVEHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate has a molecular weight of 182.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate is sourced from PubChem (CID 518472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).