(1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane

C20H36 — CID 135017700

IUPAC(1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane
SMILESCC1CCC2C(C)CCC2[C@]2(C)CC[C@@H](C(C)C)C2C1
InChIInChI=1S/C20H36/c1-13(2)16-10-11-20(5)18-9-7-15(4)17(18)8-6-14(3)12-19(16)20/h13-19H,6-12H2,1-5H3/t14?,15?,16-,17?,18?,19?,20-/m0/s1
InChIKeyUQULQDCVRJNGGW-HNTPEAOCSA-N
MW276.51 g/mol
LogP6.16
Rot. Bonds1

About (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane

(1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane (PubChem CID 135017700) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane.

Molecular Properties

Compound Name(1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane
PubChem CID135017700
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name(1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane
SMILESCC1CCC2C(C)CCC2[C@]2(C)CC[C@@H](C(C)C)C2C1
InChIInChI=1S/C20H36/c1-13(2)16-10-11-20(5)18-9-7-15(4)17(18)8-6-14(3)12-19(16)20/h13-19H,6-12H2,1-5H3/t14?,15?,16-,17?,18?,19?,20-/m0/s1
InChIKeyUQULQDCVRJNGGW-HNTPEAOCSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 36099
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1-(2-Octyldecyl)octahydropentalene
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Exo-methylbicyclo[3.3.0]octane
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2,5-Dimethyloctahydropentalene
CID 557191
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CID 12701549
7,7-Dimethylbicyclo-[3.3.0]octane
CID 59289743
Methylspiro[4,4]nonane
CID 85733408
1,5-Dimethylbicyclo[3.3.0]octane
CID 86088188
1,3-Dimethylbicyclo[3.3.0]octane
CID 91213116
1-Methyl-3-ethylbicyclo-(3,3,0)-octane
CID 123444179

Frequently Asked Questions

What is the IUPAC name of (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane?
The IUPAC name of (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane (CID 135017700) is (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane.
What is the SMILES notation for (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane?
The canonical SMILES for (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane is CC1CCC2C(C)CCC2[C@]2(C)CC[C@@H](C(C)C)C2C1.
What is the InChIKey of (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane?
The InChIKey is UQULQDCVRJNGGW-HNTPEAOCSA-N. The full InChI is InChI=1S/C20H36/c1-13(2)16-10-11-20(5)18-9-7-15(4)17(18)8-6-14(3)12-19(16)20/h13-19H,6-12H2,1-5H3/t14?,15?,16-,17?,18?,19?,20-/m0/s1.
What are the key properties of (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane?
(1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane has a molecular weight of 276.51 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S)-1,5,9-trimethyl-12-propan-2-yltricyclo[9.3.0.02,6]tetradecane is sourced from PubChem (CID 135017700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).