1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene

C14H20 — CID 144989599

IUPAC1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC/C=C\C1=C(C)C(C)C(C)=C1/C=C\C
InChIInChI=1S/C14H20/c1-6-8-13-11(4)10(3)12(5)14(13)9-7-2/h6-10H,1-5H3/b8-6-,9-7-
InChIKeyGQFCXNILSYAAEV-VRHVFUOLSA-N
MW188.31 g/mol
LogP4.42
Rot. Bonds2

About 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene

1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene (PubChem CID 144989599) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
PubChem CID144989599
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC/C=C\C1=C(C)C(C)C(C)=C1/C=C\C
InChIInChI=1S/C14H20/c1-6-8-13-11(4)10(3)12(5)14(13)9-7-2/h6-10H,1-5H3/b8-6-,9-7-
InChIKeyGQFCXNILSYAAEV-VRHVFUOLSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene (CID 144989599) is 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene is C/C=C\C1=C(C)C(C)C(C)=C1/C=C\C.
What is the InChIKey of 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is GQFCXNILSYAAEV-VRHVFUOLSA-N. The full InChI is InChI=1S/C14H20/c1-6-8-13-11(4)10(3)12(5)14(13)9-7-2/h6-10H,1-5H3/b8-6-,9-7-.
What are the key properties of 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 188.31 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 144989599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).