4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene

C22H36O — CID 83935649

IUPAC4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene
SMILESCC/C=C\CC(CCC)c1cc(C(C)(C)C)ccc1OCCC
InChIInChI=1S/C22H36O/c1-7-10-11-13-18(12-8-2)20-17-19(22(4,5)6)14-15-21(20)23-16-9-3/h10-11,14-15,17-18H,7-9,12-13,16H2,1-6H3/b11-10-
InChIKeyAZEDBIOMCGNUBO-KHPPLWFESA-N
MW316.53 g/mol
LogP7.01
Rot. Bonds9

About 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene

4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene (PubChem CID 83935649) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene.

Molecular Properties

Compound Name4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene
PubChem CID83935649
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene
SMILESCC/C=C\CC(CCC)c1cc(C(C)(C)C)ccc1OCCC
InChIInChI=1S/C22H36O/c1-7-10-11-13-18(12-8-2)20-17-19(22(4,5)6)14-15-21(20)23-16-9-3/h10-11,14-15,17-18H,7-9,12-13,16H2,1-6H3/b11-10-
InChIKeyAZEDBIOMCGNUBO-KHPPLWFESA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-propoxybenzene
CID 83935565
3-(5-tert-butyl-2-ethoxyphenyl)hexanoic acid
CID 83958349
1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82074289
4-tert-butyl-2-(3-methylhex-4-yn-2-yl)-1-propoxybenzene
CID 83935637
1-tert-butyl-2-methoxy-5-methyl-3-[(Z)-non-6-en-4-yl]benzene
CID 83942988
5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
CID 83935661
4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene
CID 83935642
1-(5-tert-butyl-2-octoxyphenyl)propan-1-ol
CID 141201801
5-tert-butyl-2-propoxybenzenesulfonyl chloride
CID 2757334
2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene
CID 83937295

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene?
The IUPAC name of 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene (CID 83935649) is 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene.
What is the SMILES notation for 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene?
The canonical SMILES for 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene is CC/C=C\CC(CCC)c1cc(C(C)(C)C)ccc1OCCC.
What is the InChIKey of 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene?
The InChIKey is AZEDBIOMCGNUBO-KHPPLWFESA-N. The full InChI is InChI=1S/C22H36O/c1-7-10-11-13-18(12-8-2)20-17-19(22(4,5)6)14-15-21(20)23-16-9-3/h10-11,14-15,17-18H,7-9,12-13,16H2,1-6H3/b11-10-.
What are the key properties of 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene?
4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene has a molecular weight of 316.53 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene is sourced from PubChem (CID 83935649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).