(1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol

C20H34O5 — CID 14313364

IUPAC(1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol
SMILESC=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1O[C@H]2[C@](C)(O)CC[C@H](O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C20H34O5/c1-10(2)12-7-6-11(3)14-15(12)18-19(4,23)9-8-13(21)20(5,24)17(22)16(14)25-18/h10,12-18,21-24H,3,6-9H2,1-2,4-5H3/t12-,13+,14+,15-,16+,17+,18-,19-,20-/m1/s1
InChIKeyZBHQGPTZWGGKBC-BHDLRSBZSA-N
MW354.49 g/mol
LogP1.63
Rot. Bonds1

About (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol

(1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol (PubChem CID 14313364) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol.

Molecular Properties

Compound Name(1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol
PubChem CID14313364
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name(1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol
SMILESC=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1O[C@H]2[C@](C)(O)CC[C@H](O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C20H34O5/c1-10(2)12-7-6-11(3)14-15(12)18-19(4,23)9-8-13(21)20(5,24)17(22)16(14)25-18/h10,12-18,21-24H,3,6-9H2,1-2,4-5H3/t12-,13+,14+,15-,16+,17+,18-,19-,20-/m1/s1
InChIKeyZBHQGPTZWGGKBC-BHDLRSBZSA-N
XLogP1.63
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol?
The IUPAC name of (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol (CID 14313364) is (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol.
What is the SMILES notation for (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol?
The canonical SMILES for (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol is C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1O[C@H]2[C@](C)(O)CC[C@H](O)[C@@](C)(O)[C@H]1O.
What is the InChIKey of (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol?
The InChIKey is ZBHQGPTZWGGKBC-BHDLRSBZSA-N. The full InChI is InChI=1S/C20H34O5/c1-10(2)12-7-6-11(3)14-15(12)18-19(4,23)9-8-13(21)20(5,24)17(22)16(14)25-18/h10,12-18,21-24H,3,6-9H2,1-2,4-5H3/t12-,13+,14+,15-,16+,17+,18-,19-,20-/m1/s1.
What are the key properties of (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol?
(1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol has a molecular weight of 354.49 g/mol, XLogP of 1.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol is sourced from PubChem (CID 14313364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).