9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene

C32H44 — CID 143637969

IUPAC9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene
SMILESC/C=C(\CC)CCCC1CCC(CCCC2c3ccccc3Cc3ccc(C)cc32)CC1
InChIInChI=1S/C32H44/c1-4-25(5-2)10-8-11-26-17-19-27(20-18-26)12-9-15-31-30-14-7-6-13-28(30)23-29-21-16-24(3)22-32(29)31/h4,6-7,13-14,16,21-22,26-27,31H,5,8-12,15,17-20,23H2,1-3H3/b25-4+
InChIKeyZVVWBWUAPFZQGP-PFKHKWDZSA-N
MW428.70 g/mol
LogP9.53
Rot. Bonds9

About 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene

9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene (PubChem CID 143637969) has the molecular formula C32H44 and a molecular weight of 428.70 g/mol. Its IUPAC name is 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene.

Molecular Properties

Compound Name9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene
PubChem CID143637969
Molecular FormulaC32H44
Molecular Weight428.70 g/mol
Exact Mass428.34
IUPAC Name9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene
SMILESC/C=C(\CC)CCCC1CCC(CCCC2c3ccccc3Cc3ccc(C)cc32)CC1
InChIInChI=1S/C32H44/c1-4-25(5-2)10-8-11-26-17-19-27(20-18-26)12-9-15-31-30-14-7-6-13-28(30)23-29-21-16-24(3)22-32(29)31/h4,6-7,13-14,16,21-22,26-27,31H,5,8-12,15,17-20,23H2,1-3H3/b25-4+
InChIKeyZVVWBWUAPFZQGP-PFKHKWDZSA-N
XLogP9.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene?
The IUPAC name of 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene (CID 143637969) is 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene.
What is the SMILES notation for 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene?
The canonical SMILES for 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene is C/C=C(\CC)CCCC1CCC(CCCC2c3ccccc3Cc3ccc(C)cc32)CC1.
What is the InChIKey of 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene?
The InChIKey is ZVVWBWUAPFZQGP-PFKHKWDZSA-N. The full InChI is InChI=1S/C32H44/c1-4-25(5-2)10-8-11-26-17-19-27(20-18-26)12-9-15-31-30-14-7-6-13-28(30)23-29-21-16-24(3)22-32(29)31/h4,6-7,13-14,16,21-22,26-27,31H,5,8-12,15,17-20,23H2,1-3H3/b25-4+.
What are the key properties of 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene?
9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene has a molecular weight of 428.70 g/mol, XLogP of 9.53, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene is sourced from PubChem (CID 143637969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).