(1-methyl-2-bicyclo[2.2.1]heptanyl) acetate

C10H16O2 — CID 572634

IUPAC(1-methyl-2-bicyclo[2.2.1]heptanyl) acetate
SMILESCC(=O)OC1CC2CCC1(C)C2
InChIInChI=1S/C10H16O2/c1-7(11)12-9-5-8-3-4-10(9,2)6-8/h8-9H,3-6H2,1-2H3
InChIKeyDKWDNTKCXZNQSH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds1

About (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate

(1-methyl-2-bicyclo[2.2.1]heptanyl) acetate (PubChem CID 572634) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate.

Molecular Properties

Compound Name(1-methyl-2-bicyclo[2.2.1]heptanyl) acetate
PubChem CID572634
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-methyl-2-bicyclo[2.2.1]heptanyl) acetate
SMILESCC(=O)OC1CC2CCC1(C)C2
InChIInChI=1S/C10H16O2/c1-7(11)12-9-5-8-3-4-10(9,2)6-8/h8-9H,3-6H2,1-2H3
InChIKeyDKWDNTKCXZNQSH-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
CID 6950273
Isobornyl formate
CID 23623868
Isobornyl isovalerate
CID 76957121
Bornyl formate
CID 518472

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate?
The IUPAC name of (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate (CID 572634) is (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate.
What is the SMILES notation for (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate?
The canonical SMILES for (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate is CC(=O)OC1CC2CCC1(C)C2.
What is the InChIKey of (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate?
The InChIKey is DKWDNTKCXZNQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(11)12-9-5-8-3-4-10(9,2)6-8/h8-9H,3-6H2,1-2H3.
What are the key properties of (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate?
(1-methyl-2-bicyclo[2.2.1]heptanyl) acetate has a molecular weight of 168.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-bicyclo[2.2.1]heptanyl) acetate is sourced from PubChem (CID 572634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).