2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol

C26H44O7 — CID 163050756

IUPAC2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol
SMILESC=C1CC(O)C2C(C)(COC3OC(C)C(O)C(O)C3O)CCCC2(C)C1CCC(C)=CCO
InChIInChI=1S/C26H44O7/c1-15(9-12-27)7-8-18-16(2)13-19(28)23-25(4,10-6-11-26(18,23)5)14-32-24-22(31)21(30)20(29)17(3)33-24/h9,17-24,27-31H,2,6-8,10-14H2,1,3-5H3
InChIKeyQCQMHIXCHXAOJB-UHFFFAOYSA-N
MW468.63 g/mol
LogP2.30
Rot. Bonds7

About 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol

2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol (PubChem CID 163050756) has the molecular formula C26H44O7 and a molecular weight of 468.63 g/mol. Its IUPAC name is 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol
PubChem CID163050756
Molecular FormulaC26H44O7
Molecular Weight468.63 g/mol
Exact Mass468.31
IUPAC Name2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol
SMILESC=C1CC(O)C2C(C)(COC3OC(C)C(O)C(O)C3O)CCCC2(C)C1CCC(C)=CCO
InChIInChI=1S/C26H44O7/c1-15(9-12-27)7-8-18-16(2)13-19(28)23-25(4,10-6-11-26(18,23)5)14-32-24-22(31)21(30)20(29)17(3)33-24/h9,17-24,27-31H,2,6-8,10-14H2,1,3-5H3
InChIKeyQCQMHIXCHXAOJB-UHFFFAOYSA-N
XLogP2.30
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 52.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol (CID 163050756) is 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol is C=C1CC(O)C2C(C)(COC3OC(C)C(O)C(O)C3O)CCCC2(C)C1CCC(C)=CCO.
What is the InChIKey of 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol?
The InChIKey is QCQMHIXCHXAOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O7/c1-15(9-12-27)7-8-18-16(2)13-19(28)23-25(4,10-6-11-26(18,23)5)14-32-24-22(31)21(30)20(29)17(3)33-24/h9,17-24,27-31H,2,6-8,10-14H2,1,3-5H3.
What are the key properties of 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol?
2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol has a molecular weight of 468.63 g/mol, XLogP of 2.30, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 163050756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).