8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane

C20H28O — CID 71241408

IUPAC8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane
SMILESCCC(C)c1ccc(OC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C20H28O/c1-3-13(2)14-7-9-16(10-8-14)21-20-12-15-11-19(20)18-6-4-5-17(15)18/h7-10,13,15,17-20H,3-6,11-12H2,1-2H3
InChIKeyQWSVUBYYSGQTCS-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.40
Rot. Bonds4

About 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane

8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane (PubChem CID 71241408) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane
PubChem CID71241408
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane
SMILESCCC(C)c1ccc(OC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C20H28O/c1-3-13(2)14-7-9-16(10-8-14)21-20-12-15-11-19(20)18-6-4-5-17(15)18/h7-10,13,15,17-20H,3-6,11-12H2,1-2H3
InChIKeyQWSVUBYYSGQTCS-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 251040
CID 251040
CID 4139143
CID 4139143
CID 639454
CID 639454
CID 12705513
CID 12705513
CID 23156728
CID 23156728
CID 129808291
CID 129808291
CID 153521632
CID 153521632
CID 382542
CID 382542
CID 71000980
CID 71000980
CID 71000986
CID 71000986
CID 71000993
CID 71000993
CID 71000994
CID 71000994

Frequently Asked Questions

What is the IUPAC name of 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane (CID 71241408) is 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane is CCC(C)c1ccc(OC2CC3CC2C2CCCC32)cc1.
What is the InChIKey of 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is QWSVUBYYSGQTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-3-13(2)14-7-9-16(10-8-14)21-20-12-15-11-19(20)18-6-4-5-17(15)18/h7-10,13,15,17-20H,3-6,11-12H2,1-2H3.
What are the key properties of 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane?
8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 284.44 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-butan-2-ylphenoxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 71241408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).