2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane

C14H24O — CID 70123120

IUPAC2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESC=CC(C)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)15-12-9-11-7-8-14(12,5)13(11,3)4/h6,10-12H,1,7-9H2,2-5H3
InChIKeyVFIGKOWMHCNPJF-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.79
Rot. Bonds3

About 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane

2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane (PubChem CID 70123120) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane
PubChem CID70123120
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESC=CC(C)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)15-12-9-11-7-8-14(12,5)13(11,3)4/h6,10-12H,1,7-9H2,2-5H3
InChIKeyVFIGKOWMHCNPJF-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pent-2-enoic acid
CID 66951278
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
[2,2-dimethyl-1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl] prop-2-enoate
CID 139800990
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 904858
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate
CID 13428328
3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine
CID 103228879
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-sulfanylpropanoate
CID 107018949
3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol
CID 114358342
dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-trimethylsilylsilane
CID 554472

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane (CID 70123120) is 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane is C=CC(C)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
The InChIKey is VFIGKOWMHCNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-6-10(2)15-12-9-11-7-8-14(12,5)13(11,3)4/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 208.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 70123120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).