1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane

C17H32O2 — CID 59782970

IUPAC1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)OCCC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H32O2/c1-12(2)19-13(3)18-10-8-15-11-14-7-9-17(15,6)16(14,4)5/h12-15H,7-11H2,1-6H3
InChIKeyJPXWDVPVKXMPKS-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.63
Rot. Bonds6

About 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane

1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane (PubChem CID 59782970) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane
PubChem CID59782970
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)OCCC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H32O2/c1-12(2)19-13(3)18-10-8-15-11-14-7-9-17(15,6)16(14,4)5/h12-15H,7-11H2,1-6H3
InChIKeyJPXWDVPVKXMPKS-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane?
The IUPAC name of 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane (CID 59782970) is 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane is CC(C)OC(C)OCCC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane?
The InChIKey is JPXWDVPVKXMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-12(2)19-13(3)18-10-8-15-11-14-7-9-17(15,6)16(14,4)5/h12-15H,7-11H2,1-6H3.
What are the key properties of 1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane?
1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane has a molecular weight of 268.44 g/mol, XLogP of 4.63, 6 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-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 59782970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).