2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene

C19H34O — CID 57324742

IUPAC2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene
SMILESCC=C(CCC1=C(C)CCCC1(C)C)OCC(C)(C)C
InChIInChI=1S/C19H34O/c1-8-16(20-14-18(3,4)5)11-12-17-15(2)10-9-13-19(17,6)7/h8H,9-14H2,1-7H3
InChIKeyQBJBZAICRLNZCW-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.26
Rot. Bonds5

About 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene

2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene (PubChem CID 57324742) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene
PubChem CID57324742
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene
SMILESCC=C(CCC1=C(C)CCCC1(C)C)OCC(C)(C)C
InChIInChI=1S/C19H34O/c1-8-16(20-14-18(3,4)5)11-12-17-15(2)10-9-13-19(17,6)7/h8H,9-14H2,1-7H3
InChIKeyQBJBZAICRLNZCW-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-3-oct-1-en-2-ylcyclohexene
CID 176427824
14-Methyl-16-oxabicyclo[10.3.1]hexadec-12-ene
CID 18961697
(3S,5R)-3-butyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
CID 118018547
1-(2,2-Dimethylundecan-3-yloxy)-4,4-difluorocyclohexene
CID 172699947
1-Methoxy-3,3-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexene
CID 12003841
(E)-7-ethoxy-5-ethyltetradec-6-ene
CID 12009433
(3R)-3-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
CID 25191177
(4R)-1-methoxy-3,3-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexene
CID 53259839
(4S)-1-methoxy-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexene
CID 53259840
(14R)-14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
CID 11424893
2,2,4,6,6-Pentamethyl-gamma-methylene-3-cyclohexene-1-propanol methyl ether
CID 14692991
1-Butoxy-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene
CID 17843079

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene (CID 57324742) is 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene is CC=C(CCC1=C(C)CCCC1(C)C)OCC(C)(C)C.
What is the InChIKey of 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene?
The InChIKey is QBJBZAICRLNZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-8-16(20-14-18(3,4)5)11-12-17-15(2)10-9-13-19(17,6)7/h8H,9-14H2,1-7H3.
What are the key properties of 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene?
2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene has a molecular weight of 278.48 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropoxy)pent-3-enyl]-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 57324742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).