1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene

C14H22O — CID 21467046

IUPAC1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene
SMILESC=CCOCC(=C)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H22O/c1-6-9-15-10-11(2)13-8-7-12(3)14(13,4)5/h6-7,13H,1-2,8-10H2,3-5H3
InChIKeyWOWJMOGMOOHOKX-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds5

About 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene

1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene (PubChem CID 21467046) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene.

Molecular Properties

Compound Name1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene
PubChem CID21467046
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene
SMILESC=CCOCC(=C)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H22O/c1-6-9-15-10-11(2)13-8-7-12(3)14(13,4)5/h6-7,13H,1-2,8-10H2,3-5H3
InChIKeyWOWJMOGMOOHOKX-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene?
The IUPAC name of 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene (CID 21467046) is 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene.
What is the SMILES notation for 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene?
The canonical SMILES for 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene is C=CCOCC(=C)C1CC=C(C)C1(C)C.
What is the InChIKey of 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene?
The InChIKey is WOWJMOGMOOHOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-9-15-10-11(2)13-8-7-12(3)14(13,4)5/h6-7,13H,1-2,8-10H2,3-5H3.
What are the key properties of 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene?
1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene has a molecular weight of 206.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-4-(3-prop-2-enoxyprop-1-en-2-yl)cyclopentene is sourced from PubChem (CID 21467046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).