5-propan-2-yloxycyclohexa-1,2-diene

C9H14O — CID 57034214

IUPAC5-propan-2-yloxycyclohexa-1,2-diene
SMILESCC(C)OC1CC=C=CC1
InChIInChI=1S/C9H14O/c1-8(2)10-9-6-4-3-5-7-9/h4-5,8-9H,6-7H2,1-2H3
InChIKeyWLYAIBQHEOJYPH-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.29
Rot. Bonds2

About 5-propan-2-yloxycyclohexa-1,2-diene

5-propan-2-yloxycyclohexa-1,2-diene (PubChem CID 57034214) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-propan-2-yloxycyclohexa-1,2-diene.

Molecular Properties

Compound Name5-propan-2-yloxycyclohexa-1,2-diene
PubChem CID57034214
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-propan-2-yloxycyclohexa-1,2-diene
SMILESCC(C)OC1CC=C=CC1
InChIInChI=1S/C9H14O/c1-8(2)10-9-6-4-3-5-7-9/h4-5,8-9H,6-7H2,1-2H3
InChIKeyWLYAIBQHEOJYPH-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxycyclohexa-1,2-diene?
The IUPAC name of 5-propan-2-yloxycyclohexa-1,2-diene (CID 57034214) is 5-propan-2-yloxycyclohexa-1,2-diene.
What is the SMILES notation for 5-propan-2-yloxycyclohexa-1,2-diene?
The canonical SMILES for 5-propan-2-yloxycyclohexa-1,2-diene is CC(C)OC1CC=C=CC1.
What is the InChIKey of 5-propan-2-yloxycyclohexa-1,2-diene?
The InChIKey is WLYAIBQHEOJYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(2)10-9-6-4-3-5-7-9/h4-5,8-9H,6-7H2,1-2H3.
What are the key properties of 5-propan-2-yloxycyclohexa-1,2-diene?
5-propan-2-yloxycyclohexa-1,2-diene has a molecular weight of 138.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxycyclohexa-1,2-diene is sourced from PubChem (CID 57034214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).