(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol

C17H33IO — CID 101378954

IUPAC(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol
SMILESCCCCCCCCCC/C=C(/I)C[C@@H](O)C(C)C
InChIInChI=1S/C17H33IO/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-17(19)15(2)3/h13,15,17,19H,4-12,14H2,1-3H3/b16-13+/t17-/m1/s1
InChIKeyYXRLWOKLJRCTDR-HJUDDPQBSA-N
MW380.35 g/mol
LogP6.24
Rot. Bonds12

About (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol

(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol (PubChem CID 101378954) has the molecular formula C17H33IO and a molecular weight of 380.35 g/mol. Its IUPAC name is (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol.

Molecular Properties

Compound Name(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol
PubChem CID101378954
Molecular FormulaC17H33IO
Molecular Weight380.35 g/mol
Exact Mass380.16
IUPAC Name(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol
SMILESCCCCCCCCCC/C=C(/I)C[C@@H](O)C(C)C
InChIInChI=1S/C17H33IO/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-17(19)15(2)3/h13,15,17,19H,4-12,14H2,1-3H3/b16-13+/t17-/m1/s1
InChIKeyYXRLWOKLJRCTDR-HJUDDPQBSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.35
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-diiodonon-1-ene
CID 141002826
1,2-dibromodec-2-ene
CID 54083778
(E)-2-iodonon-2-ene
CID 10444893
5-iodotridec-5-en-4-ol
CID 141095237
3-propyldodec-3-en-2-ol
CID 71375191
1,1-dibromotridec-1-ene
CID 14681915
2,3,4-trimethyldec-4-ene
CID 123648620
(3S,5S)-2-methylundecane-3,5-diol
CID 14784007
1-ethoxy-1-iodooct-1-ene
CID 173444253
2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene
CID 54471611
octane;propan-2-ol
CID 160746796
undec-1-ene-1,1-diol
CID 87556705

Frequently Asked Questions

What is the IUPAC name of (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol?
The IUPAC name of (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol (CID 101378954) is (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol.
What is the SMILES notation for (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol?
The canonical SMILES for (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol is CCCCCCCCCC/C=C(/I)C[C@@H](O)C(C)C.
What is the InChIKey of (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol?
The InChIKey is YXRLWOKLJRCTDR-HJUDDPQBSA-N. The full InChI is InChI=1S/C17H33IO/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-17(19)15(2)3/h13,15,17,19H,4-12,14H2,1-3H3/b16-13+/t17-/m1/s1.
What are the key properties of (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol?
(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol has a molecular weight of 380.35 g/mol, XLogP of 6.24, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-5-iodo-2-methylhexadec-5-en-3-ol is sourced from PubChem (CID 101378954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).