(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol

C17H30O3 — CID 11536484

IUPAC(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol
SMILESCOCO[C@@]1(C)[C@@H]2C[C@H]3CC[C@]2(C)[C@@](O)([C@H]1C)C3(C)C
InChIInChI=1S/C17H30O3/c1-11-16(5,20-10-19-6)13-9-12-7-8-15(13,4)17(11,18)14(12,2)3/h11-13,18H,7-10H2,1-6H3/t11-,12+,13+,15-,16+,17+/m0/s1
InChIKeyBIDQHQQAJPDFEK-UHFNRVLPSA-N
MW282.42 g/mol
LogP3.21
Rot. Bonds3

About (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol

(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol (PubChem CID 11536484) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol.

Molecular Properties

Compound Name(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol
PubChem CID11536484
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol
SMILESCOCO[C@@]1(C)[C@@H]2C[C@H]3CC[C@]2(C)[C@@](O)([C@H]1C)C3(C)C
InChIInChI=1S/C17H30O3/c1-11-16(5,20-10-19-6)13-9-12-7-8-15(13,4)17(11,18)14(12,2)3/h11-13,18H,7-10H2,1-6H3/t11-,12+,13+,15-,16+,17+/m0/s1
InChIKeyBIDQHQQAJPDFEK-UHFNRVLPSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol?
The IUPAC name of (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol (CID 11536484) is (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol.
What is the SMILES notation for (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol?
The canonical SMILES for (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol is COCO[C@@]1(C)[C@@H]2C[C@H]3CC[C@]2(C)[C@@](O)([C@H]1C)C3(C)C.
What is the InChIKey of (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol?
The InChIKey is BIDQHQQAJPDFEK-UHFNRVLPSA-N. The full InChI is InChI=1S/C17H30O3/c1-11-16(5,20-10-19-6)13-9-12-7-8-15(13,4)17(11,18)14(12,2)3/h11-13,18H,7-10H2,1-6H3/t11-,12+,13+,15-,16+,17+/m0/s1.
What are the key properties of (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol?
(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol has a molecular weight of 282.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol is sourced from PubChem (CID 11536484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).