(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol

C17H34O — CID 10858039

IUPAC(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
SMILESC=C(C)[C@H](CC(C)C)[C@H](O)CCCCCCCC
InChIInChI=1S/C17H34O/c1-6-7-8-9-10-11-12-17(18)16(15(4)5)13-14(2)3/h14,16-18H,4,6-13H2,1-3,5H3/t16-,17+/m0/s1
InChIKeyHNEDPGQFQGOLLP-DLBZAZTESA-N
MW254.46 g/mol
LogP5.34
Rot. Bonds11

About (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol

(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol (PubChem CID 10858039) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol.

Molecular Properties

Compound Name(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
PubChem CID10858039
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
SMILESC=C(C)[C@H](CC(C)C)[C@H](O)CCCCCCCC
InChIInChI=1S/C17H34O/c1-6-7-8-9-10-11-12-17(18)16(15(4)5)13-14(2)3/h14,16-18H,4,6-13H2,1-3,5H3/t16-,17+/m0/s1
InChIKeyHNEDPGQFQGOLLP-DLBZAZTESA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
4-amino-2-methylundecan-5-ol
CID 72805371
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
8,10-dimethyl-7-prop-1-en-2-ylhenicosane
CID 59273185
nonacosane-14,15-diol
CID 91509633
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
2-aminotetradecan-3-ol
CID 10198494
(2S,3S)-2-aminoundecan-3-ol
CID 132514193
4-methyltetradecan-5-ol
CID 65149403
3-(1-hydroxyheptyl)undecan-2-one
CID 101077785

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol?
The IUPAC name of (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol (CID 10858039) is (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol.
What is the SMILES notation for (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol?
The canonical SMILES for (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol is C=C(C)[C@H](CC(C)C)[C@H](O)CCCCCCCC.
What is the InChIKey of (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol?
The InChIKey is HNEDPGQFQGOLLP-DLBZAZTESA-N. The full InChI is InChI=1S/C17H34O/c1-6-7-8-9-10-11-12-17(18)16(15(4)5)13-14(2)3/h14,16-18H,4,6-13H2,1-3,5H3/t16-,17+/m0/s1.
What are the key properties of (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol?
(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol has a molecular weight of 254.46 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol is sourced from PubChem (CID 10858039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).