(2R)-2-prop-1-en-2-ylhexanal

C9H16O — CID 170850526

IUPAC(2R)-2-prop-1-en-2-ylhexanal
SMILESC=C(C)[C@H](C=O)CCCC
InChIInChI=1S/C9H16O/c1-4-5-6-9(7-10)8(2)3/h7,9H,2,4-6H2,1,3H3/t9-/m0/s1
InChIKeyRTNYOBHDSZVRHS-VIFPVBQESA-N
MW140.23 g/mol
LogP2.57
Rot. Bonds5

About (2R)-2-prop-1-en-2-ylhexanal

(2R)-2-prop-1-en-2-ylhexanal (PubChem CID 170850526) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R)-2-prop-1-en-2-ylhexanal.

Molecular Properties

Compound Name(2R)-2-prop-1-en-2-ylhexanal
PubChem CID170850526
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R)-2-prop-1-en-2-ylhexanal
SMILESC=C(C)[C@H](C=O)CCCC
InChIInChI=1S/C9H16O/c1-4-5-6-9(7-10)8(2)3/h7,9H,2,4-6H2,1,3H3/t9-/m0/s1
InChIKeyRTNYOBHDSZVRHS-VIFPVBQESA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.57
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

2-acetylhexanal
CID 12612516
2-(3-oxobut-1-en-2-yl)undecanal
CID 86086955
2-(1-hydroxyprop-1-enyl)heptanal
CID 174492764
ethyl 2-formylheptanoate
CID 13330717
2-ethylhexanal;2-methylprop-2-enamide
CID 174294578
2-nonadecyl-3-oxodocosanal
CID 90945652
2-dodecyl-3-oxopentadecanal
CID 91176354
bis(2-methylprop-2-enoic acid);pentane-1,1-diol
CID 87132551
3-oxo-2-propylheptanal
CID 90932849
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
acetic acid;nonan-5-ol
CID 53445479
2-(fluoromethyl)-5-hydroxynonanal
CID 134300098

Frequently Asked Questions

What is the IUPAC name of (2R)-2-prop-1-en-2-ylhexanal?
The IUPAC name of (2R)-2-prop-1-en-2-ylhexanal (CID 170850526) is (2R)-2-prop-1-en-2-ylhexanal.
What is the SMILES notation for (2R)-2-prop-1-en-2-ylhexanal?
The canonical SMILES for (2R)-2-prop-1-en-2-ylhexanal is C=C(C)[C@H](C=O)CCCC.
What is the InChIKey of (2R)-2-prop-1-en-2-ylhexanal?
The InChIKey is RTNYOBHDSZVRHS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-6-9(7-10)8(2)3/h7,9H,2,4-6H2,1,3H3/t9-/m0/s1.
What are the key properties of (2R)-2-prop-1-en-2-ylhexanal?
(2R)-2-prop-1-en-2-ylhexanal has a molecular weight of 140.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-prop-1-en-2-ylhexanal is sourced from PubChem (CID 170850526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).