(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane

C18H32 — CID 58358740

IUPAC(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC(C)C1C[C@@H]2CC(C3CCCCC3)C[C@H](C1)C2
InChIInChI=1S/C18H32/c1-13(2)17-9-14-8-15(10-17)12-18(11-14)16-6-4-3-5-7-16/h13-18H,3-12H2,1-2H3/t14-,15+,17?,18?
InChIKeyRFEWHWDXHUNSSK-BXXOZEPKSA-N
MW248.45 g/mol
LogP5.67
Rot. Bonds2

About (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane

(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane (PubChem CID 58358740) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
PubChem CID58358740
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC(C)C1C[C@@H]2CC(C3CCCCC3)C[C@H](C1)C2
InChIInChI=1S/C18H32/c1-13(2)17-9-14-8-15(10-17)12-18(11-14)16-6-4-3-5-7-16/h13-18H,3-12H2,1-2H3/t14-,15+,17?,18?
InChIKeyRFEWHWDXHUNSSK-BXXOZEPKSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
methane;propan-2-ylcyclotetradecane
CID 159882779
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bicyclo[2.2.1]heptane;cycloheptane;methane
CID 142046247
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 101318409
3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 76732971
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
benzene;propan-2-ylcyclohexane
CID 163364158
2-cyclohexyl-1,4-di(propan-2-yl)cyclohexane
CID 101318401
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane?
The IUPAC name of (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane (CID 58358740) is (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane is CC(C)C1C[C@@H]2CC(C3CCCCC3)C[C@H](C1)C2.
What is the InChIKey of (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane?
The InChIKey is RFEWHWDXHUNSSK-BXXOZEPKSA-N. The full InChI is InChI=1S/C18H32/c1-13(2)17-9-14-8-15(10-17)12-18(11-14)16-6-4-3-5-7-16/h13-18H,3-12H2,1-2H3/t14-,15+,17?,18?.
What are the key properties of (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane?
(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane has a molecular weight of 248.45 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane is sourced from PubChem (CID 58358740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).