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

C10H16O — CID 18427006

IUPAC1-methyl-3-propan-2-yloxycyclohexa-1,3-diene
SMILESCC1=CC(OC(C)C)=CCC1
InChIInChI=1S/C10H16O/c1-8(2)11-10-6-4-5-9(3)7-10/h6-8H,4-5H2,1-3H3
InChIKeyAYGABJRVSHPDSH-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds2

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

1-methyl-3-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 18427006) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-3-propan-2-yloxycyclohexa-1,3-diene
PubChem CID18427006
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methyl-3-propan-2-yloxycyclohexa-1,3-diene
SMILESCC1=CC(OC(C)C)=CCC1
InChIInChI=1S/C10H16O/c1-8(2)11-10-6-4-5-9(3)7-10/h6-8H,4-5H2,1-3H3
InChIKeyAYGABJRVSHPDSH-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene (CID 18427006) is 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene is CC1=CC(OC(C)C)=CCC1.
What is the InChIKey of 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is AYGABJRVSHPDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)11-10-6-4-5-9(3)7-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene?
1-methyl-3-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 18427006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).