4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene

C18H28O — CID 83935642

IUPAC4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene
SMILESC/C=C\CCc1cc(C(C)(C)C)ccc1OCCC
InChIInChI=1S/C18H28O/c1-6-8-9-10-15-14-16(18(3,4)5)11-12-17(15)19-13-7-2/h6,8,11-12,14H,7,9-10,13H2,1-5H3/b8-6-
InChIKeyAICDSRJCOBZZJT-VURMDHGXSA-N
MW260.42 g/mol
LogP5.28
Rot. Bonds6

About 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene

4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene (PubChem CID 83935642) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene.

Molecular Properties

Compound Name4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene
PubChem CID83935642
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene
SMILESC/C=C\CCc1cc(C(C)(C)C)ccc1OCCC
InChIInChI=1S/C18H28O/c1-6-8-9-10-15-14-16(18(3,4)5)11-12-17(15)19-13-7-2/h6,8,11-12,14H,7,9-10,13H2,1-5H3/b8-6-
InChIKeyAICDSRJCOBZZJT-VURMDHGXSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.28
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

4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole
CID 112718941
5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
1-(5-tert-butyl-2-propoxyphenyl)-2-methylheptan-4-one
CID 83935602
3-[2-propoxy-5-(trifluoromethyl)phenyl]propane-1-thiol
CID 83921271
bis(4-propoxy-3-propylphenyl)silane
CID 159991250
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474
5-tert-butyl-2-propoxybenzenesulfonyl chloride
CID 2757334
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene
CID 83935649
4-tert-butyl-2-(3-methylhex-4-yn-2-yl)-1-propoxybenzene
CID 83935637

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene?
The IUPAC name of 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene (CID 83935642) is 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene.
What is the SMILES notation for 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene?
The canonical SMILES for 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene is C/C=C\CCc1cc(C(C)(C)C)ccc1OCCC.
What is the InChIKey of 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene?
The InChIKey is AICDSRJCOBZZJT-VURMDHGXSA-N. The full InChI is InChI=1S/C18H28O/c1-6-8-9-10-15-14-16(18(3,4)5)11-12-17(15)19-13-7-2/h6,8,11-12,14H,7,9-10,13H2,1-5H3/b8-6-.
What are the key properties of 4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene?
4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.28, 6 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)-pent-3-enyl]-1-propoxybenzene is sourced from PubChem (CID 83935642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).