5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C15H28O2 — CID 122448203

IUPAC5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCCC[C@H](OC)C1CCCC2C(O)CCCC21
InChIInChI=1S/C15H28O2/c1-3-6-15(17-2)13-9-4-8-12-11(13)7-5-10-14(12)16/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14?,15-/m0/s1
InChIKeyAJEIXSJLLFUSKF-MWHZVNNOSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds4

About 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 122448203) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID122448203
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCCC[C@H](OC)C1CCCC2C(O)CCCC21
InChIInChI=1S/C15H28O2/c1-3-6-15(17-2)13-9-4-8-12-11(13)7-5-10-14(12)16/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14?,15-/m0/s1
InChIKeyAJEIXSJLLFUSKF-MWHZVNNOSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 122448203) is 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is CCC[C@H](OC)C1CCCC2C(O)CCCC21.
What is the InChIKey of 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is AJEIXSJLLFUSKF-MWHZVNNOSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-6-15(17-2)13-9-4-8-12-11(13)7-5-10-14(12)16/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14?,15-/m0/s1.
What are the key properties of 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 122448203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).