(3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate

C17H26O3 — CID 148543766

IUPAC(3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate
SMILESCCCC1(C(=O)OC23CC4CC(C2)C(O)(C4)C3)CC1C
InChIInChI=1S/C17H26O3/c1-3-4-16(6-11(16)2)14(18)20-15-7-12-5-13(9-15)17(19,8-12)10-15/h11-13,19H,3-10H2,1-2H3
InChIKeyMSRQPTLEISIPRW-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.05
Rot. Bonds4

About (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate

(3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate (PubChem CID 148543766) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate
PubChem CID148543766
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate
SMILESCCCC1(C(=O)OC23CC4CC(C2)C(O)(C4)C3)CC1C
InChIInChI=1S/C17H26O3/c1-3-4-16(6-11(16)2)14(18)20-15-7-12-5-13(9-15)17(19,8-12)10-15/h11-13,19H,3-10H2,1-2H3
InChIKeyMSRQPTLEISIPRW-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methylbutanoate
CID 148916900
1-(1-hydroxy-4,4-dimethylpentoxy)tricyclo[3.3.1.03,7]nonan-3-ol
CID 123332539
(5-methoxy-2-propyl-2-adamantyl) prop-2-enoate
CID 58734530
1-adamantyl 2-ethyladamantane-2-carboxylate
CID 166021559
(3-hydroxy-1-adamantyl) 2-ethyl-3-methylbutanoate
CID 129308989
bis(2-pentyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69156202
bis(2-octyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69157016
bis(2-hexyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69157393
(3-hydroxy-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) 2,2-dimethylbutanoate
CID 144690921
(3-bromo-1-adamantyl) 2-methylprop-2-enoate
CID 70404847
(6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate
CID 170113395
[3-[2-(2-methyloxetan-2-yl)ethoxy]-1-adamantyl] 2-methylprop-2-enoate
CID 68634782

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate?
The IUPAC name of (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate (CID 148543766) is (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate.
What is the SMILES notation for (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate?
The canonical SMILES for (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate is CCCC1(C(=O)OC23CC4CC(C2)C(O)(C4)C3)CC1C.
What is the InChIKey of (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate?
The InChIKey is MSRQPTLEISIPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-4-16(6-11(16)2)14(18)20-15-7-12-5-13(9-15)17(19,8-12)10-15/h11-13,19H,3-10H2,1-2H3.
What are the key properties of (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate?
(3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate has a molecular weight of 278.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) 2-methyl-1-propylcyclopropane-1-carboxylate is sourced from PubChem (CID 148543766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).