1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol

C20H36O3 — CID 54071664

IUPAC1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
SMILESCOCOC(C)(C)CCCC(C)C1=CCC2C(O)CCCC12C
InChIInChI=1S/C20H36O3/c1-15(8-6-12-19(2,3)23-14-22-5)16-10-11-17-18(21)9-7-13-20(16,17)4/h10,15,17-18,21H,6-9,11-14H2,1-5H3
InChIKeyMGWIGSRYFCQECK-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.69
Rot. Bonds8

About 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol

1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol (PubChem CID 54071664) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol.

Molecular Properties

Compound Name1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
PubChem CID54071664
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
SMILESCOCOC(C)(C)CCCC(C)C1=CCC2C(O)CCCC12C
InChIInChI=1S/C20H36O3/c1-15(8-6-12-19(2,3)23-14-22-5)16-10-11-17-18(21)9-7-13-20(16,17)4/h10,15,17-18,21H,6-9,11-14H2,1-5H3
InChIKeyMGWIGSRYFCQECK-UHFFFAOYSA-N
XLogP4.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol with MolForge

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Related Compounds

Achilleol A
CID 5471312
[(1R,2S,4aR,5S,8aS)-5-(methoxymethoxy)-1-methyl-2-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
CID 166444577
[5-(methoxymethoxy)-1-methyl-2-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
CID 166444583
[(1S,2R,4aS,5R,8aR)-5-(methoxymethoxy)-1-methyl-2-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
CID 166444584
(1R,3aR,4S,7aR)-7a-methyl-1-[(E,2R,5R)-7,7,7-trifluoro-6-(methoxymethoxy)-5-methyl-6-(trifluoromethyl)hept-3-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 10718239
1R-(5-Methoxymethoxy-1R,4S,5-trimethyl-hex-2-enyl)-7R-methyl-octahydro-inden-4S-ol
CID 133655743
(3aR,4S,7aS)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 10727184
1-[(E)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 17893975
3a,4,5,6,7,7a-Hexahydro-1-(1-methyl-5-ethyl-5-hydroxy-3-heptynyl)-7a-methyl-3H-inden-4-ol
CID 17893978
1-(1-Hydroxypropan-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 18736936
1-(6-Hydroxy-6-methylhept-4-yn-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 19879148
1-(6-Hydroxy-6-methylheptan-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 22444616

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The IUPAC name of 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol (CID 54071664) is 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol.
What is the SMILES notation for 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The canonical SMILES for 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol is COCOC(C)(C)CCCC(C)C1=CCC2C(O)CCCC12C.
What is the InChIKey of 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The InChIKey is MGWIGSRYFCQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-15(8-6-12-19(2,3)23-14-22-5)16-10-11-17-18(21)9-7-13-20(16,17)4/h10,15,17-18,21H,6-9,11-14H2,1-5H3.
What are the key properties of 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol has a molecular weight of 324.51 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol is sourced from PubChem (CID 54071664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).