8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane

C14H20O — CID 20676852

IUPAC8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane
SMILESC=CC(=C)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H20O/c1-3-9(2)15-14-8-10-7-13(14)12-6-4-5-11(10)12/h3,10-14H,1-2,4-8H2
InChIKeyNCKFREHXLPOBOY-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.53
Rot. Bonds3

About 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane

8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane (PubChem CID 20676852) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane
PubChem CID20676852
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane
SMILESC=CC(=C)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H20O/c1-3-9(2)15-14-8-10-7-13(14)12-6-4-5-11(10)12/h3,10-14H,1-2,4-8H2
InChIKeyNCKFREHXLPOBOY-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3a,4,5,6,7,7a-Hexahydro-5(or 6)(2-propen-1-yloxy)-4,7-methano-1H-indene
CID 102779
Allyloxy-3,4-epoxytricyclo(5.2.1.0 2,6)decane
CID 4533217
Allyloxytricyclo(5.2.1.0 2,6)dec-3-ene
CID 347423
5-(Ethenyloxy)octahydro-1H-4,7-methanoindene
CID 59813138
2,3,3,4,4,5,5,6-Octafluoro-8-prop-2-enoxytricyclo[5.2.1.02,6]decane
CID 21057445
2-Buta-1,3-dien-2-yloxy-2-methylbicyclo[2.2.1]heptane
CID 20676844
8-(3-Methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane
CID 20676848
9-Buta-1,3-dien-2-yloxytricyclo[6.2.1.02,7]undecane
CID 20676854
3,8-Dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
CID 23113228
1,4-Bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
CID 23113259
2-Ethenyl-5-prop-2-enoxybicyclo[2.2.1]heptane
CID 57156498
2-Ethenyl-6-prop-2-enoxybicyclo[2.2.1]heptane
CID 57185098

Frequently Asked Questions

What is the IUPAC name of 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane (CID 20676852) is 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane is C=CC(=C)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane?
The InChIKey is NCKFREHXLPOBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-9(2)15-14-8-10-7-13(14)12-6-4-5-11(10)12/h3,10-14H,1-2,4-8H2.
What are the key properties of 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane?
8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane has a molecular weight of 204.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 20676852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).