(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol

C20H32O3 — CID 163028462

IUPAC(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
SMILESC=C(C)[C@H]1C/C=C(\C)C/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)[C@@H](O)C1
InChIInChI=1S/C20H32O3/c1-14(2)17-9-8-15(3)7-6-10-20(5,23)13-18(21)11-16(4)19(22)12-17/h6,8,10-11,17-19,21-23H,1,7,9,12-13H2,2-5H3/b10-6+,15-8+,16-11+/t17-,18-,19-,20-/m0/s1
InChIKeyNMAOWZNPWXGFTF-IUFWWUAMSA-N
MW320.47 g/mol
LogP3.67
Rot. Bonds1

About (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol

(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol (PubChem CID 163028462) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol.

Molecular Properties

Compound Name(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
PubChem CID163028462
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
SMILESC=C(C)[C@H]1C/C=C(\C)C/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)[C@@H](O)C1
InChIInChI=1S/C20H32O3/c1-14(2)17-9-8-15(3)7-6-10-20(5,23)13-18(21)11-16(4)19(22)12-17/h6,8,10-11,17-19,21-23H,1,7,9,12-13H2,2-5H3/b10-6+,15-8+,16-11+/t17-,18-,19-,20-/m0/s1
InChIKeyNMAOWZNPWXGFTF-IUFWWUAMSA-N
XLogP3.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol?
The IUPAC name of (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol (CID 163028462) is (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol.
What is the SMILES notation for (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol?
The canonical SMILES for (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol is C=C(C)[C@H]1C/C=C(\C)C/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)[C@@H](O)C1.
What is the InChIKey of (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol?
The InChIKey is NMAOWZNPWXGFTF-IUFWWUAMSA-N. The full InChI is InChI=1S/C20H32O3/c1-14(2)17-9-8-15(3)7-6-10-20(5,23)13-18(21)11-16(4)19(22)12-17/h6,8,10-11,17-19,21-23H,1,7,9,12-13H2,2-5H3/b10-6+,15-8+,16-11+/t17-,18-,19-,20-/m0/s1.
What are the key properties of (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol?
(1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol has a molecular weight of 320.47 g/mol, XLogP of 3.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4E,6S,8S,10E,13E)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol is sourced from PubChem (CID 163028462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).