1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane

C14H26O — CID 72770490

IUPAC1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane
SMILESCC(C)(C)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H26O/c1-12(2,3)15-11-9-10-7-8-14(11,6)13(10,4)5/h10-11H,7-9H2,1-6H3
InChIKeyWXNLELRPIIYONT-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.02
Rot. Bonds1

About 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane

1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane (PubChem CID 72770490) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane
PubChem CID72770490
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane
SMILESCC(C)(C)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H26O/c1-12(2,3)15-11-9-10-7-8-14(11,6)13(10,4)5/h10-11H,7-9H2,1-6H3
InChIKeyWXNLELRPIIYONT-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Borneol
CID 64685
Isoborneol
CID 6321405
D-Borneol
CID 6552009
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
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

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane?
The IUPAC name of 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane (CID 72770490) is 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane?
The canonical SMILES for 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane is CC(C)(C)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane?
The InChIKey is WXNLELRPIIYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-12(2,3)15-11-9-10-7-8-14(11,6)13(10,4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of 1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane?
1,7,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane has a molecular weight of 210.36 g/mol, XLogP of 4.02, 1 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-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane is sourced from PubChem (CID 72770490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).