3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene

C13H18O — CID 142918520

IUPAC3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene
SMILESC=C(C)C1=CCC=CC=C1OC(C)C
InChIInChI=1S/C13H18O/c1-10(2)12-8-6-5-7-9-13(12)14-11(3)4/h5,7-9,11H,1,6H2,2-4H3
InChIKeyPIDXEEORMAMEHD-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.76
Rot. Bonds3

About 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene

3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene (PubChem CID 142918520) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene
PubChem CID142918520
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene
SMILESC=C(C)C1=CCC=CC=C1OC(C)C
InChIInChI=1S/C13H18O/c1-10(2)12-8-6-5-7-9-13(12)14-11(3)4/h5,7-9,11H,1,6H2,2-4H3
InChIKeyPIDXEEORMAMEHD-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 143389115
N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
CID 142229617
diethyl cyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 66809592
ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine
CID 143885715
2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene
CID 142213493
methyl 7-fluorocyclohepta-1,3,6-triene-1-carboxylate
CID 167443583
2-prop-1-en-2-yl-5H-indene
CID 135556108
ethane;(7-methylcyclohepta-1,3,6-trien-1-yl) (Z)-but-2-enoate
CID 142062038
dihexyl cyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 66809346
7-[amino(methyl)amino]cyclohepta-1,3,6-trien-1-amine
CID 89146882
ethane;N-(6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methanimine
CID 155731579
3-propan-2-yl-8H-benzo[7]annulene
CID 145265248

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene?
The IUPAC name of 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene (CID 142918520) is 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene?
The canonical SMILES for 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene is C=C(C)C1=CCC=CC=C1OC(C)C.
What is the InChIKey of 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene?
The InChIKey is PIDXEEORMAMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)12-8-6-5-7-9-13(12)14-11(3)4/h5,7-9,11H,1,6H2,2-4H3.
What are the key properties of 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene?
3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene has a molecular weight of 190.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-2-prop-1-en-2-ylcyclohepta-1,3,5-triene is sourced from PubChem (CID 142918520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).