(Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one

C14H22O2 — CID 118486145

IUPAC(Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one
SMILESCO/C(=C\C(=O)C1CCCC1)C1CCCC1
InChIInChI=1S/C14H22O2/c1-16-14(12-8-4-5-9-12)10-13(15)11-6-2-3-7-11/h10-12H,2-9H2,1H3/b14-10-
InChIKeyCLJPVKQBTOCTMQ-UVTDQMKNSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds4

About (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one

(Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one (PubChem CID 118486145) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one
PubChem CID118486145
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one
SMILESCO/C(=C\C(=O)C1CCCC1)C1CCCC1
InChIInChI=1S/C14H22O2/c1-16-14(12-8-4-5-9-12)10-13(15)11-6-2-3-7-11/h10-12H,2-9H2,1H3/b14-10-
InChIKeyCLJPVKQBTOCTMQ-UVTDQMKNSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one?
The IUPAC name of (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one (CID 118486145) is (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one.
What is the SMILES notation for (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one?
The canonical SMILES for (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one is CO/C(=C\C(=O)C1CCCC1)C1CCCC1.
What is the InChIKey of (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one?
The InChIKey is CLJPVKQBTOCTMQ-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H22O2/c1-16-14(12-8-4-5-9-12)10-13(15)11-6-2-3-7-11/h10-12H,2-9H2,1H3/b14-10-.
What are the key properties of (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one?
(Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-dicyclopentyl-3-methoxyprop-2-en-1-one is sourced from PubChem (CID 118486145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).