(E,4R)-5-chloro-4-methylpent-2-ene

C6H11Cl — CID 163801787

IUPAC(E,4R)-5-chloro-4-methylpent-2-ene
SMILESC/C=C/[C@@H](C)CCl
InChIInChI=1S/C6H11Cl/c1-3-4-6(2)5-7/h3-4,6H,5H2,1-2H3/b4-3+/t6-/m1/s1
InChIKeyNFPOLHVYEXQSAL-FCJGRKLLSA-N
MW118.61 g/mol
LogP2.44
Rot. Bonds2

About (E,4R)-5-chloro-4-methylpent-2-ene

(E,4R)-5-chloro-4-methylpent-2-ene (PubChem CID 163801787) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is (E,4R)-5-chloro-4-methylpent-2-ene.

Molecular Properties

Compound Name(E,4R)-5-chloro-4-methylpent-2-ene
PubChem CID163801787
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name(E,4R)-5-chloro-4-methylpent-2-ene
SMILESC/C=C/[C@@H](C)CCl
InChIInChI=1S/C6H11Cl/c1-3-4-6(2)5-7/h3-4,6H,5H2,1-2H3/b4-3+/t6-/m1/s1
InChIKeyNFPOLHVYEXQSAL-FCJGRKLLSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(E)-4-chloro-3-methylbut-1-en-1-ol
CID 141026739
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(Z)-4-methylhept-2-ene
CID 5352649
4,6,6-trimethylhept-2-ene
CID 91083549
(6E)-3,5-dimethylocta-1,6-diene
CID 5365812
4,8-dimethylnona-2,6-diene
CID 54128177
4-methyloct-2-ene
CID 528286
(E)-4-(2-chloroethoxy)pent-2-ene
CID 55300958
4-methylpent-2-ene
CID 12659
(E)-4-methylpent-2-ene;propane
CID 142019888
3-methylhex-4-enethioic S-acid
CID 57018176
4,6,7,8,9-pentamethyldec-2-ene
CID 123292023

Frequently Asked Questions

What is the IUPAC name of (E,4R)-5-chloro-4-methylpent-2-ene?
The IUPAC name of (E,4R)-5-chloro-4-methylpent-2-ene (CID 163801787) is (E,4R)-5-chloro-4-methylpent-2-ene.
What is the SMILES notation for (E,4R)-5-chloro-4-methylpent-2-ene?
The canonical SMILES for (E,4R)-5-chloro-4-methylpent-2-ene is C/C=C/[C@@H](C)CCl.
What is the InChIKey of (E,4R)-5-chloro-4-methylpent-2-ene?
The InChIKey is NFPOLHVYEXQSAL-FCJGRKLLSA-N. The full InChI is InChI=1S/C6H11Cl/c1-3-4-6(2)5-7/h3-4,6H,5H2,1-2H3/b4-3+/t6-/m1/s1.
What are the key properties of (E,4R)-5-chloro-4-methylpent-2-ene?
(E,4R)-5-chloro-4-methylpent-2-ene has a molecular weight of 118.61 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-5-chloro-4-methylpent-2-ene is sourced from PubChem (CID 163801787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).