(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane

C15H26 — CID 135011219

IUPAC(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane
SMILESCC(C)[C@@H]1CC2(C)CC3(C)CCC2C1C3
InChIInChI=1S/C15H26/c1-10(2)11-8-15(4)9-14(3)6-5-13(15)12(11)7-14/h10-13H,5-9H2,1-4H3/t11-,12?,13?,14?,15?/m0/s1
InChIKeyWRXSTOPIVFUUIV-DYQPHDICSA-N
MW206.37 g/mol
LogP4.49
Rot. Bonds1

About (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane

(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane (PubChem CID 135011219) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane.

Molecular Properties

Compound Name(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane
PubChem CID135011219
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane
SMILESCC(C)[C@@H]1CC2(C)CC3(C)CCC2C1C3
InChIInChI=1S/C15H26/c1-10(2)11-8-15(4)9-14(3)6-5-13(15)12(11)7-14/h10-13H,5-9H2,1-4H3/t11-,12?,13?,14?,15?/m0/s1
InChIKeyWRXSTOPIVFUUIV-DYQPHDICSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane?
The IUPAC name of (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane (CID 135011219) is (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane.
What is the SMILES notation for (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane?
The canonical SMILES for (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane is CC(C)[C@@H]1CC2(C)CC3(C)CCC2C1C3.
What is the InChIKey of (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane?
The InChIKey is WRXSTOPIVFUUIV-DYQPHDICSA-N. The full InChI is InChI=1S/C15H26/c1-10(2)11-8-15(4)9-14(3)6-5-13(15)12(11)7-14/h10-13H,5-9H2,1-4H3/t11-,12?,13?,14?,15?/m0/s1.
What are the key properties of (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane?
(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane has a molecular weight of 206.37 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane is sourced from PubChem (CID 135011219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).