4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

C12H23ClO2 — CID 176894805

IUPAC4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CCC(Cl)(COC(C)C)COC(C)C
InChIInChI=1S/C12H23ClO2/c1-6-7-12(13,8-14-10(2)3)9-15-11(4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyDITFDKULRJPMLD-UHFFFAOYSA-N
MW234.77 g/mol
LogP3.39
Rot. Bonds8

About 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (PubChem CID 176894805) has the molecular formula C12H23ClO2 and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.

Molecular Properties

Compound Name4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
PubChem CID176894805
Molecular FormulaC12H23ClO2
Molecular Weight234.77 g/mol
Exact Mass234.14
IUPAC Name4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CCC(Cl)(COC(C)C)COC(C)C
InChIInChI=1S/C12H23ClO2/c1-6-7-12(13,8-14-10(2)3)9-15-11(4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyDITFDKULRJPMLD-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-prop-2-enylpent-4-en-1-amine
CID 87643832
4-chloro-4-methylpent-1-ene
CID 14174361
3,3-dimethylhex-5-en-2-amine
CID 130019272
4-chloro-4-methylpent-1-ene;silane
CID 174547745
2-methylpent-4-en-2-yl-di(propan-2-yloxy)silane
CID 123440128
4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813
4-methyl-5-propan-2-yloxypent-1-ene
CID 144799299
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751
6-chloro-4,4-dimethylhept-1-ene
CID 64716425
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The IUPAC name of 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (CID 176894805) is 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.
What is the SMILES notation for 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The canonical SMILES for 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is C=CCC(Cl)(COC(C)C)COC(C)C.
What is the InChIKey of 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The InChIKey is DITFDKULRJPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO2/c1-6-7-12(13,8-14-10(2)3)9-15-11(4)5/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene has a molecular weight of 234.77 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is sourced from PubChem (CID 176894805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).