(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde

C10H14O — CID 118191387

IUPAC(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde
SMILESCC1=C(C)[C@H](C)C(C=O)=C1C
InChIInChI=1S/C10H14O/c1-6-7(2)9(4)10(5-11)8(6)3/h5,8H,1-4H3/t8-/m0/s1
InChIKeyAZNZJHSDSBIICT-QMMMGPOBSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds1

About (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde

(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde (PubChem CID 118191387) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde
PubChem CID118191387
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde
SMILESCC1=C(C)[C@H](C)C(C=O)=C1C
InChIInChI=1S/C10H14O/c1-6-7(2)9(4)10(5-11)8(6)3/h5,8H,1-4H3/t8-/m0/s1
InChIKeyAZNZJHSDSBIICT-QMMMGPOBSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde?
The IUPAC name of (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde (CID 118191387) is (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde?
The canonical SMILES for (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde is CC1=C(C)[C@H](C)C(C=O)=C1C.
What is the InChIKey of (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde?
The InChIKey is AZNZJHSDSBIICT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14O/c1-6-7(2)9(4)10(5-11)8(6)3/h5,8H,1-4H3/t8-/m0/s1.
What are the key properties of (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde?
(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 118191387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).