2-methoxy-5-propan-2-ylcyclohexa-1,3-diene

C10H16O — CID 12599166

IUPAC2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=CCC(C(C)C)C=C1
InChIInChI=1S/C10H16O/c1-8(2)9-4-6-10(11-3)7-5-9/h4,6-9H,5H2,1-3H3
InChIKeyHVCMQUMDJMOOPD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.75
Rot. Bonds2

About 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene

2-methoxy-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 12599166) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID12599166
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=CCC(C(C)C)C=C1
InChIInChI=1S/C10H16O/c1-8(2)9-4-6-10(11-3)7-5-9/h4,6-9H,5H2,1-3H3
InChIKeyHVCMQUMDJMOOPD-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene (CID 12599166) is 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene is COC1=CCC(C(C)C)C=C1.
What is the InChIKey of 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is HVCMQUMDJMOOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)9-4-6-10(11-3)7-5-9/h4,6-9H,5H2,1-3H3.
What are the key properties of 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
2-methoxy-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 12599166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).