(2R)-2-propan-2-ylpent-4-enal

C8H14O — CID 44521428

IUPAC(2R)-2-propan-2-ylpent-4-enal
SMILESC=CC[C@@H](C=O)C(C)C
InChIInChI=1S/C8H14O/c1-4-5-8(6-9)7(2)3/h4,6-8H,1,5H2,2-3H3/t8-/m0/s1
InChIKeyUCENWOFPTQSUNH-QMMMGPOBSA-N
MW126.20 g/mol
LogP2.03
Rot. Bonds4

About (2R)-2-propan-2-ylpent-4-enal

(2R)-2-propan-2-ylpent-4-enal (PubChem CID 44521428) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R)-2-propan-2-ylpent-4-enal.

Molecular Properties

Compound Name(2R)-2-propan-2-ylpent-4-enal
PubChem CID44521428
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R)-2-propan-2-ylpent-4-enal
SMILESC=CC[C@@H](C=O)C(C)C
InChIInChI=1S/C8H14O/c1-4-5-8(6-9)7(2)3/h4,6-8H,1,5H2,2-3H3/t8-/m0/s1
InChIKeyUCENWOFPTQSUNH-QMMMGPOBSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-propan-2-ylhepta-1,5-diene
CID 59039580
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
(3S)-3-methyl-2-(2-oxopropyl)hex-5-enal
CID 143622188
4-propan-2-ylhepta-1,6-diene
CID 14140894
5-chloro-2-propan-2-ylhex-4-enal
CID 71364483
2-(chloromethyl)-3-methylbutanal
CID 173430796
2,4-dimethylhept-6-enal
CID 14532516
5-hydroxy-2-propan-2-ylhexanal
CID 59012674
pent-4-ene-2-sulfonyl chloride
CID 165486149
(4S)-4-iodopent-1-ene
CID 88562936
4-iodopent-1-ene
CID 13244562
(2S)-2-aminopent-4-enal
CID 160694428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-ylpent-4-enal?
The IUPAC name of (2R)-2-propan-2-ylpent-4-enal (CID 44521428) is (2R)-2-propan-2-ylpent-4-enal.
What is the SMILES notation for (2R)-2-propan-2-ylpent-4-enal?
The canonical SMILES for (2R)-2-propan-2-ylpent-4-enal is C=CC[C@@H](C=O)C(C)C.
What is the InChIKey of (2R)-2-propan-2-ylpent-4-enal?
The InChIKey is UCENWOFPTQSUNH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-8(6-9)7(2)3/h4,6-8H,1,5H2,2-3H3/t8-/m0/s1.
What are the key properties of (2R)-2-propan-2-ylpent-4-enal?
(2R)-2-propan-2-ylpent-4-enal has a molecular weight of 126.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-ylpent-4-enal is sourced from PubChem (CID 44521428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).