2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene

C11H16O — CID 130394697

IUPAC2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene
SMILESC=CC1=C(OC(C)C)CCC=C1
InChIInChI=1S/C11H16O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4-5,7,9H,1,6,8H2,2-3H3
InChIKeyCTECNHOQZKLQQY-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.20
Rot. Bonds3

About 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene

2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 130394697) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene
PubChem CID130394697
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene
SMILESC=CC1=C(OC(C)C)CCC=C1
InChIInChI=1S/C11H16O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4-5,7,9H,1,6,8H2,2-3H3
InChIKeyCTECNHOQZKLQQY-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene (CID 130394697) is 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene is C=CC1=C(OC(C)C)CCC=C1.
What is the InChIKey of 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is CTECNHOQZKLQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4-5,7,9H,1,6,8H2,2-3H3.
What are the key properties of 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene?
2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 164.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 130394697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).