6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene

C19H28O — CID 22555731

IUPAC6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene
SMILESCC1=CCC(OC(C)C)(C(C)(C)C2=CCC=C2)C(C)=C1
InChIInChI=1S/C19H28O/c1-14(2)20-19(12-11-15(3)13-16(19)4)18(5,6)17-9-7-8-10-17/h7,9-11,13-14H,8,12H2,1-6H3
InChIKeyYKAONXNMUIFXMZ-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.36
Rot. Bonds4

About 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene

6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 22555731) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene
PubChem CID22555731
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene
SMILESCC1=CCC(OC(C)C)(C(C)(C)C2=CCC=C2)C(C)=C1
InChIInChI=1S/C19H28O/c1-14(2)20-19(12-11-15(3)13-16(19)4)18(5,6)17-9-7-8-10-17/h7,9-11,13-14H,8,12H2,1-6H3
InChIKeyYKAONXNMUIFXMZ-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene (CID 22555731) is 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene is CC1=CCC(OC(C)C)(C(C)(C)C2=CCC=C2)C(C)=C1.
What is the InChIKey of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is YKAONXNMUIFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14(2)20-19(12-11-15(3)13-16(19)4)18(5,6)17-9-7-8-10-17/h7,9-11,13-14H,8,12H2,1-6H3.
What are the key properties of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene?
6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 272.43 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 22555731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).