1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane

C15H28O — CID 91429053

IUPAC1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
SMILESCCCOCCC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H28O/c1-5-9-16-10-7-13-11-12-6-8-15(13,4)14(12,2)3/h12-13H,5-11H2,1-4H3
InChIKeyYYKCGLTUJAJRMO-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.27
Rot. Bonds5

About 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane

1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane (PubChem CID 91429053) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
PubChem CID91429053
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
SMILESCCCOCCC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H28O/c1-5-9-16-10-7-13-11-12-6-8-15(13,4)14(12,2)3/h12-13H,5-11H2,1-4H3
InChIKeyYYKCGLTUJAJRMO-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane
CID 59782970
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477
N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115572582
4-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butyl prop-2-enoate
CID 175415960
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
3-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]oxetane
CID 22556149
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]cyclohexan-1-ol
CID 101328421
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol
CID 174614678
(1S,3S,4R)-2,2-dimethyl-3-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 95241864
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 123733443

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane (CID 91429053) is 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane is CCCOCCC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
The InChIKey is YYKCGLTUJAJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-9-16-10-7-13-11-12-6-8-15(13,4)14(12,2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane has a molecular weight of 224.39 g/mol, XLogP of 4.27, 5 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-propoxyethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 91429053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).