(Z)-3-(2-methylphenyl)-2-propylhex-2-enal

C16H22O — CID 154824594

IUPAC(Z)-3-(2-methylphenyl)-2-propylhex-2-enal
SMILESCCC/C(C=O)=C(\CCC)c1ccccc1C
InChIInChI=1S/C16H22O/c1-4-8-14(12-17)16(9-5-2)15-11-7-6-10-13(15)3/h6-7,10-12H,4-5,8-9H2,1-3H3/b16-14-
InChIKeyWYZGOOBDYMZUGB-PEZBUJJGSA-N
MW230.35 g/mol
LogP4.55
Rot. Bonds6

About (Z)-3-(2-methylphenyl)-2-propylhex-2-enal

(Z)-3-(2-methylphenyl)-2-propylhex-2-enal (PubChem CID 154824594) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z)-3-(2-methylphenyl)-2-propylhex-2-enal.

Molecular Properties

Compound Name(Z)-3-(2-methylphenyl)-2-propylhex-2-enal
PubChem CID154824594
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(Z)-3-(2-methylphenyl)-2-propylhex-2-enal
SMILESCCC/C(C=O)=C(\CCC)c1ccccc1C
InChIInChI=1S/C16H22O/c1-4-8-14(12-17)16(9-5-2)15-11-7-6-10-13(15)3/h6-7,10-12H,4-5,8-9H2,1-3H3/b16-14-
InChIKeyWYZGOOBDYMZUGB-PEZBUJJGSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 58572622
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1-methyl-2-oct-4-en-4-ylbenzene
CID 86019229
2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)
CID 143430727
ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene
CID 142516496
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
1-(2-methylphenyl)butane-1,2-dione
CID 69199618
ethane;(E)-2-(2-methylphenyl)but-2-enal
CID 143157071
1-[(3Z)-3-butan-2-yl-4-ethenylhepta-1,3-dien-2-yl]-2-methylbenzene
CID 144614570
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-methylphenyl)hexane-1,2-dione
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1-(2-methylphenyl)undecan-1-one
CID 63409592

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methylphenyl)-2-propylhex-2-enal?
The IUPAC name of (Z)-3-(2-methylphenyl)-2-propylhex-2-enal (CID 154824594) is (Z)-3-(2-methylphenyl)-2-propylhex-2-enal.
What is the SMILES notation for (Z)-3-(2-methylphenyl)-2-propylhex-2-enal?
The canonical SMILES for (Z)-3-(2-methylphenyl)-2-propylhex-2-enal is CCC/C(C=O)=C(\CCC)c1ccccc1C.
What is the InChIKey of (Z)-3-(2-methylphenyl)-2-propylhex-2-enal?
The InChIKey is WYZGOOBDYMZUGB-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H22O/c1-4-8-14(12-17)16(9-5-2)15-11-7-6-10-13(15)3/h6-7,10-12H,4-5,8-9H2,1-3H3/b16-14-.
What are the key properties of (Z)-3-(2-methylphenyl)-2-propylhex-2-enal?
(Z)-3-(2-methylphenyl)-2-propylhex-2-enal has a molecular weight of 230.35 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylphenyl)-2-propylhex-2-enal is sourced from PubChem (CID 154824594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).