(2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene

C25H40 — CID 171392404

IUPAC(2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene
SMILESCC(C)[C@H]1CCC2=CC34C(C)C5(CC[C@H](C)[C@@H]5CC[C@@H]3C)[C@@H]4C[C@@]21C
InChIInChI=1S/C25H40/c1-15(2)20-10-8-19-13-25-17(4)7-9-21-16(3)11-12-24(21,18(25)5)22(25)14-23(19,20)6/h13,15-18,20-22H,7-12,14H2,1-6H3/t16-,17-,18?,20+,21-,22-,23-,24?,25?/m0/s1
InChIKeyIMIQYCVARKPMEI-ZWCBYKRRSA-N
MW340.60 g/mol
LogP7.10
Rot. Bonds1

About (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene

(2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene (PubChem CID 171392404) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene.

Molecular Properties

Compound Name(2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene
PubChem CID171392404
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name(2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene
SMILESCC(C)[C@H]1CCC2=CC34C(C)C5(CC[C@H](C)[C@@H]5CC[C@@H]3C)[C@@H]4C[C@@]21C
InChIInChI=1S/C25H40/c1-15(2)20-10-8-19-13-25-17(4)7-9-21-16(3)11-12-24(21,18(25)5)22(25)14-23(19,20)6/h13,15-18,20-22H,7-12,14H2,1-6H3/t16-,17-,18?,20+,21-,22-,23-,24?,25?/m0/s1
InChIKeyIMIQYCVARKPMEI-ZWCBYKRRSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene?
The IUPAC name of (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene (CID 171392404) is (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene.
What is the SMILES notation for (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene?
The canonical SMILES for (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene is CC(C)[C@H]1CCC2=CC34C(C)C5(CC[C@H](C)[C@@H]5CC[C@@H]3C)[C@@H]4C[C@@]21C.
What is the InChIKey of (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene?
The InChIKey is IMIQYCVARKPMEI-ZWCBYKRRSA-N. The full InChI is InChI=1S/C25H40/c1-15(2)20-10-8-19-13-25-17(4)7-9-21-16(3)11-12-24(21,18(25)5)22(25)14-23(19,20)6/h13,15-18,20-22H,7-12,14H2,1-6H3/t16-,17-,18?,20+,21-,22-,23-,24?,25?/m0/s1.
What are the key properties of (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene?
(2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene has a molecular weight of 340.60 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R,11S,14S,15S)-4,11,15,18-tetramethyl-5-propan-2-ylpentacyclo[8.7.1.01,14.02,10.04,8]octadec-8-ene is sourced from PubChem (CID 171392404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).