1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol

C15H30O3S — CID 65151467

IUPAC1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C15H30O3S/c1-4-19(17,18)12-6-10-15(16)9-5-7-14(8-11-15)13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyGHUCMLVZXYVGKJ-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.17
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol

1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol (PubChem CID 65151467) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
PubChem CID65151467
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C15H30O3S/c1-4-19(17,18)12-6-10-15(16)9-5-7-14(8-11-15)13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyGHUCMLVZXYVGKJ-UHFFFAOYSA-N
XLogP3.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol (CID 65151467) is 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol is CCS(=O)(=O)CCCC1(O)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is GHUCMLVZXYVGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-4-19(17,18)12-6-10-15(16)9-5-7-14(8-11-15)13(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol?
1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 290.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 65151467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).