(3R,4R)-3-chlorododec-1-en-4-ol

C12H23ClO — CID 13419709

IUPAC(3R,4R)-3-chlorododec-1-en-4-ol
SMILESC=C[C@@H](Cl)[C@H](O)CCCCCCCC
InChIInChI=1S/C12H23ClO/c1-3-5-6-7-8-9-10-12(14)11(13)4-2/h4,11-12,14H,2-3,5-10H2,1H3/t11-,12-/m1/s1
InChIKeyUFJLKLUMMVQYNJ-VXGBXAGGSA-N
MW218.77 g/mol
LogP3.89
Rot. Bonds9

About (3R,4R)-3-chlorododec-1-en-4-ol

(3R,4R)-3-chlorododec-1-en-4-ol (PubChem CID 13419709) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is (3R,4R)-3-chlorododec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-chlorododec-1-en-4-ol
PubChem CID13419709
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name(3R,4R)-3-chlorododec-1-en-4-ol
SMILESC=C[C@@H](Cl)[C@H](O)CCCCCCCC
InChIInChI=1S/C12H23ClO/c1-3-5-6-7-8-9-10-12(14)11(13)4-2/h4,11-12,14H,2-3,5-10H2,1H3/t11-,12-/m1/s1
InChIKeyUFJLKLUMMVQYNJ-VXGBXAGGSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-chlorododec-1-en-4-ol?
The IUPAC name of (3R,4R)-3-chlorododec-1-en-4-ol (CID 13419709) is (3R,4R)-3-chlorododec-1-en-4-ol.
What is the SMILES notation for (3R,4R)-3-chlorododec-1-en-4-ol?
The canonical SMILES for (3R,4R)-3-chlorododec-1-en-4-ol is C=C[C@@H](Cl)[C@H](O)CCCCCCCC.
What is the InChIKey of (3R,4R)-3-chlorododec-1-en-4-ol?
The InChIKey is UFJLKLUMMVQYNJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23ClO/c1-3-5-6-7-8-9-10-12(14)11(13)4-2/h4,11-12,14H,2-3,5-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-3-chlorododec-1-en-4-ol?
(3R,4R)-3-chlorododec-1-en-4-ol has a molecular weight of 218.77 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-chlorododec-1-en-4-ol is sourced from PubChem (CID 13419709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).