1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane

C13H24O — CID 14109089

IUPAC1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane
SMILESCC(C)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H24O/c1-9(2)14-11-8-10-6-7-13(11,5)12(10,3)4/h9-11H,6-8H2,1-5H3
InChIKeyLYYUOFVMXSNALH-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.63
Rot. Bonds2

About 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane

1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane (PubChem CID 14109089) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane
PubChem CID14109089
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane
SMILESCC(C)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H24O/c1-9(2)14-11-8-10-6-7-13(11,5)12(10,3)4/h9-11H,6-8H2,1-5H3
InChIKeyLYYUOFVMXSNALH-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Borneol
CID 64685
Isoborneol
CID 6321405
D-Borneol
CID 6552009
Fenchol
CID 15406
Borneol, (-)-
CID 1201518
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

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane?
The IUPAC name of 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane (CID 14109089) is 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane?
The canonical SMILES for 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane is CC(C)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane?
The InChIKey is LYYUOFVMXSNALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)14-11-8-10-6-7-13(11,5)12(10,3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane?
1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane has a molecular weight of 196.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-propan-2-yloxybicyclo[2.2.1]heptane is sourced from PubChem (CID 14109089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).