(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol

C25H50O2 — CID 163038984

IUPAC(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol
SMILESCC[C@H](C)C/C=C/[C@H](C)[C@H](O)CC[C@H](C)CCC[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C25H50O2/c1-8-20(2)12-10-16-23(5)24(26)18-17-22(4)14-9-13-21(3)15-11-19-25(6,7)27/h10,16,20-24,26-27H,8-9,11-15,17-19H2,1-7H3/b16-10+/t20-,21-,22+,23-,24+/m0/s1
InChIKeyLVOIAUYYMRCVLX-CDVIFZHFSA-N
MW382.67 g/mol
LogP7.14
Rot. Bonds16

About (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol

(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol (PubChem CID 163038984) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol.

Molecular Properties

Compound Name(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol
PubChem CID163038984
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol
SMILESCC[C@H](C)C/C=C/[C@H](C)[C@H](O)CC[C@H](C)CCC[C@H](C)CCCC(C)(C)O
InChIInChI=1S/C25H50O2/c1-8-20(2)12-10-16-23(5)24(26)18-17-22(4)14-9-13-21(3)15-11-19-25(6,7)27/h10,16,20-24,26-27H,8-9,11-15,17-19H2,1-7H3/b16-10+/t20-,21-,22+,23-,24+/m0/s1
InChIKeyLVOIAUYYMRCVLX-CDVIFZHFSA-N
XLogP7.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol?
The IUPAC name of (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol (CID 163038984) is (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol.
What is the SMILES notation for (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol?
The canonical SMILES for (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol is CC[C@H](C)C/C=C/[C@H](C)[C@H](O)CC[C@H](C)CCC[C@H](C)CCCC(C)(C)O.
What is the InChIKey of (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol?
The InChIKey is LVOIAUYYMRCVLX-CDVIFZHFSA-N. The full InChI is InChI=1S/C25H50O2/c1-8-20(2)12-10-16-23(5)24(26)18-17-22(4)14-9-13-21(3)15-11-19-25(6,7)27/h10,16,20-24,26-27H,8-9,11-15,17-19H2,1-7H3/b16-10+/t20-,21-,22+,23-,24+/m0/s1.
What are the key properties of (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol?
(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol has a molecular weight of 382.67 g/mol, XLogP of 7.14, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol is sourced from PubChem (CID 163038984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).