(1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane

C20H36 — CID 135017378

IUPAC(1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane
SMILESCC1CCC2[C@H](C(C)C)CC[C@@]2(C)CC2C(C)CCC12
InChIInChI=1S/C20H36/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-19H,6-12H2,1-5H3/t14?,15?,16-,17?,18?,19?,20-/m0/s1
InChIKeyHQUIOTSHLCINRU-HNTPEAOCSA-N
MW276.51 g/mol
LogP6.16
Rot. Bonds1

About (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane

(1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane (PubChem CID 135017378) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane.

Molecular Properties

Compound Name(1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane
PubChem CID135017378
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name(1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane
SMILESCC1CCC2[C@H](C(C)C)CC[C@@]2(C)CC2C(C)CCC12
InChIInChI=1S/C20H36/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-19H,6-12H2,1-5H3/t14?,15?,16-,17?,18?,19?,20-/m0/s1
InChIKeyHQUIOTSHLCINRU-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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Frequently Asked Questions

What is the IUPAC name of (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane?
The IUPAC name of (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane (CID 135017378) is (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane.
What is the SMILES notation for (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane?
The canonical SMILES for (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane is CC1CCC2[C@H](C(C)C)CC[C@@]2(C)CC2C(C)CCC12.
What is the InChIKey of (1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane?
The InChIKey is HQUIOTSHLCINRU-HNTPEAOCSA-N. The full InChI is InChI=1S/C20H36/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(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)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane?
(1S,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]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)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradecane is sourced from PubChem (CID 135017378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).