(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane

C9H14 — CID 163485393

IUPAC(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane
SMILESCC(C)[C@@H]1CC2C3C1[C@@H]23
InChIInChI=1S/C9H14/c1-4(2)5-3-6-8-7(5)9(6)8/h4-9H,3H2,1-2H3/t5-,6?,7?,8+,9?/m0/s1
InChIKeyCICWYOGXSWQENP-UFSSTMQVSA-N
MW122.21 g/mol
LogP2.15
Rot. Bonds1

About (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane

(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane (PubChem CID 163485393) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane.

Molecular Properties

Compound Name(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane
PubChem CID163485393
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane
SMILESCC(C)[C@@H]1CC2C3C1[C@@H]23
InChIInChI=1S/C9H14/c1-4(2)5-3-6-8-7(5)9(6)8/h4-9H,3H2,1-2H3/t5-,6?,7?,8+,9?/m0/s1
InChIKeyCICWYOGXSWQENP-UFSSTMQVSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
1,1-dimethyl-2-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123309747
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618199
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
CID 163855339
2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 167309530
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane?
The IUPAC name of (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane (CID 163485393) is (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane.
What is the SMILES notation for (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane?
The canonical SMILES for (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane is CC(C)[C@@H]1CC2C3C1[C@@H]23.
What is the InChIKey of (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane?
The InChIKey is CICWYOGXSWQENP-UFSSTMQVSA-N. The full InChI is InChI=1S/C9H14/c1-4(2)5-3-6-8-7(5)9(6)8/h4-9H,3H2,1-2H3/t5-,6?,7?,8+,9?/m0/s1.
What are the key properties of (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane?
(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane has a molecular weight of 122.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane is sourced from PubChem (CID 163485393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).