(1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol

C20H32O6 — CID 101229265

IUPAC(1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol
SMILESCC1=C2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@]12O)[C@H]3O
InChIInChI=1S/C20H32O6/c1-10-12-7-13(21)16(2,3)20(12,26)14(22)8-18-9-17(4,24)11(15(18)23)5-6-19(10,18)25/h11,13-15,21-26H,5-9H2,1-4H3/t11-,13+,14-,15-,17-,18-,19+,20+/m1/s1
InChIKeyCKLIKFCKEAPQBE-VHGKIUBDSA-N
MW368.47 g/mol
LogP0.23
Rot. Bonds

About (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol

(1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol (PubChem CID 101229265) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol.

Molecular Properties

Compound Name(1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol
PubChem CID101229265
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name(1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol
SMILESCC1=C2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@]12O)[C@H]3O
InChIInChI=1S/C20H32O6/c1-10-12-7-13(21)16(2,3)20(12,26)14(22)8-18-9-17(4,24)11(15(18)23)5-6-19(10,18)25/h11,13-15,21-26H,5-9H2,1-4H3/t11-,13+,14-,15-,17-,18-,19+,20+/m1/s1
InChIKeyCKLIKFCKEAPQBE-VHGKIUBDSA-N
XLogP0.23
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 50.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol?
The IUPAC name of (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol (CID 101229265) is (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol.
What is the SMILES notation for (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol?
The canonical SMILES for (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol is CC1=C2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@]12O)[C@H]3O.
What is the InChIKey of (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol?
The InChIKey is CKLIKFCKEAPQBE-VHGKIUBDSA-N. The full InChI is InChI=1S/C20H32O6/c1-10-12-7-13(21)16(2,3)20(12,26)14(22)8-18-9-17(4,24)11(15(18)23)5-6-19(10,18)25/h11,13-15,21-26H,5-9H2,1-4H3/t11-,13+,14-,15-,17-,18-,19+,20+/m1/s1.
What are the key properties of (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol?
(1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol has a molecular weight of 368.47 g/mol, XLogP of 0.23, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol is sourced from PubChem (CID 101229265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).