(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane

C11H18 — CID 163620307

IUPAC(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane
SMILESCC(C)[C@]12CC1CCC1CC12
InChIInChI=1S/C11H18/c1-7(2)11-6-9(11)4-3-8-5-10(8)11/h7-10H,3-6H2,1-2H3/t8?,9?,10?,11-/m1/s1
InChIKeyHNNUNIOWOHLDQZ-AHELAYONSA-N
MW150.27 g/mol
LogP3.08
Rot. Bonds1

About (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane

(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane (PubChem CID 163620307) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane.

Molecular Properties

Compound Name(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane
PubChem CID163620307
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane
SMILESCC(C)[C@]12CC1CCC1CC12
InChIInChI=1S/C11H18/c1-7(2)11-6-9(11)4-3-8-5-10(8)11/h7-10H,3-6H2,1-2H3/t8?,9?,10?,11-/m1/s1
InChIKeyHNNUNIOWOHLDQZ-AHELAYONSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane?
The IUPAC name of (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane (CID 163620307) is (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane.
What is the SMILES notation for (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane?
The canonical SMILES for (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane is CC(C)[C@]12CC1CCC1CC12.
What is the InChIKey of (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane?
The InChIKey is HNNUNIOWOHLDQZ-AHELAYONSA-N. The full InChI is InChI=1S/C11H18/c1-7(2)11-6-9(11)4-3-8-5-10(8)11/h7-10H,3-6H2,1-2H3/t8?,9?,10?,11-/m1/s1.
What are the key properties of (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane?
(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane has a molecular weight of 150.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane is sourced from PubChem (CID 163620307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).