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

C18H30O2 — CID 106827870

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)OC2CC3CCC2(C)C3(C)C)CCCCC1
InChIInChI=1S/C18H30O2/c1-16(2)13-8-11-18(16,4)14(12-13)20-15(19)17(3)9-6-5-7-10-17/h13-14H,5-12H2,1-4H3
InChIKeyQLJICDLBKQBADZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.71
Rot. Bonds2

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

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate (PubChem CID 106827870) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate
PubChem CID106827870
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)OC2CC3CCC2(C)C3(C)C)CCCCC1
InChIInChI=1S/C18H30O2/c1-16(2)13-8-11-18(16,4)14(12-13)20-15(19)17(3)9-6-5-7-10-17/h13-14H,5-12H2,1-4H3
InChIKeyQLJICDLBKQBADZ-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
CID 140960699
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273
acetic acid;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 118982093
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonylamino]carbamate
CID 10453143
2-oxo-2-[[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]acetic acid
CID 174735483
ethene;[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 134330267
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-(azepan-1-yl)acetate
CID 23328231
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-piperidin-1-ylpropanoate;hydrochloride
CID 153408941
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-cycloheptylacetate
CID 114458340
bis[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2,3,3-tetramethylbutanedioate
CID 11374256

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate (CID 106827870) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate is CC1(C(=O)OC2CC3CCC2(C)C3(C)C)CCCCC1.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate?
The InChIKey is QLJICDLBKQBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-16(2)13-8-11-18(16,4)14(12-13)20-15(19)17(3)9-6-5-7-10-17/h13-14H,5-12H2,1-4H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylcyclohexane-1-carboxylate has a molecular weight of 278.44 g/mol, XLogP of 4.71, 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) 1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 106827870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).