3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol

C17H32O2 — CID 70887607

IUPAC3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol
SMILESCC1CCC2CCC[C@H](CCCO)C2(OC(C)C)C1
InChIInChI=1S/C17H32O2/c1-13(2)19-17-12-14(3)9-10-16(17)7-4-6-15(17)8-5-11-18/h13-16,18H,4-12H2,1-3H3/t14?,15-,16?,17?/m1/s1
InChIKeyBXUWOXVOAVPUNF-ZKDDFBJFSA-N
MW268.44 g/mol
LogP4.16
Rot. Bonds5

About 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol

3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol (PubChem CID 70887607) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol
PubChem CID70887607
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol
SMILESCC1CCC2CCC[C@H](CCCO)C2(OC(C)C)C1
InChIInChI=1S/C17H32O2/c1-13(2)19-17-12-14(3)9-10-16(17)7-4-6-15(17)8-5-11-18/h13-16,18H,4-12H2,1-3H3/t14?,15-,16?,17?/m1/s1
InChIKeyBXUWOXVOAVPUNF-ZKDDFBJFSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol?
The IUPAC name of 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol (CID 70887607) is 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol?
The canonical SMILES for 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol is CC1CCC2CCC[C@H](CCCO)C2(OC(C)C)C1.
What is the InChIKey of 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol?
The InChIKey is BXUWOXVOAVPUNF-ZKDDFBJFSA-N. The full InChI is InChI=1S/C17H32O2/c1-13(2)19-17-12-14(3)9-10-16(17)7-4-6-15(17)8-5-11-18/h13-16,18H,4-12H2,1-3H3/t14?,15-,16?,17?/m1/s1.
What are the key properties of 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol?
3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol is sourced from PubChem (CID 70887607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).