6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C15H26O3 — CID 71390518

IUPAC6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCC1CCC2C(O)CCC(C3(C)OCCO3)C2C1
InChIInChI=1S/C15H26O3/c1-10-3-4-11-12(9-10)13(5-6-14(11)16)15(2)17-7-8-18-15/h10-14,16H,3-9H2,1-2H3
InChIKeyJIFSLROTXNMVIC-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.57
Rot. Bonds1

About 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 71390518) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID71390518
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCC1CCC2C(O)CCC(C3(C)OCCO3)C2C1
InChIInChI=1S/C15H26O3/c1-10-3-4-11-12(9-10)13(5-6-14(11)16)15(2)17-7-8-18-15/h10-14,16H,3-9H2,1-2H3
InChIKeyJIFSLROTXNMVIC-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 71390518) is 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is CC1CCC2C(O)CCC(C3(C)OCCO3)C2C1.
What is the InChIKey of 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is JIFSLROTXNMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-10-3-4-11-12(9-10)13(5-6-14(11)16)15(2)17-7-8-18-15/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 254.37 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 71390518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).