1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene

C26H28 — CID 136880184

IUPAC1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene
SMILESC=CCCCCC(CC1=C2C=CC=CC2C=C1)C1=C2C=CC=CC2C=C1
InChIInChI=1S/C26H28/c1-2-3-4-5-12-22(26-18-17-21-11-7-9-14-25(21)26)19-23-16-15-20-10-6-8-13-24(20)23/h2,6-11,13-18,20-22H,1,3-5,12,19H2
InChIKeyRGUPVKQBLMXNAA-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.96
Rot. Bonds8

About 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene

1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene (PubChem CID 136880184) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene.

Molecular Properties

Compound Name1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene
PubChem CID136880184
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene
SMILESC=CCCCCC(CC1=C2C=CC=CC2C=C1)C1=C2C=CC=CC2C=C1
InChIInChI=1S/C26H28/c1-2-3-4-5-12-22(26-18-17-21-11-7-9-14-25(21)26)19-23-16-15-20-10-6-8-13-24(20)23/h2,6-11,13-18,20-22H,1,3-5,12,19H2
InChIKeyRGUPVKQBLMXNAA-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hex-5-enyl-3aH-indene
CID 22899034
trichloro(oct-7-en-2-yl)silane
CID 23208276
trichloro-[(2S)-oct-7-en-2-yl]silane
CID 124630643
2-phenyldec-9-en-1-amine
CID 107010668
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
tetradec-13-en-7-ylbenzene
CID 140694824
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
CID 107011981
7,9-dibromonon-1-ene
CID 15155894
25-methylhexacos-1-ene
CID 141407501
11-bromohenicosa-1,20-diene
CID 102253799

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene?
The IUPAC name of 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene (CID 136880184) is 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene.
What is the SMILES notation for 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene?
The canonical SMILES for 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene is C=CCCCCC(CC1=C2C=CC=CC2C=C1)C1=C2C=CC=CC2C=C1.
What is the InChIKey of 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene?
The InChIKey is RGUPVKQBLMXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-2-3-4-5-12-22(26-18-17-21-11-7-9-14-25(21)26)19-23-16-15-20-10-6-8-13-24(20)23/h2,6-11,13-18,20-22H,1,3-5,12,19H2.
What are the key properties of 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene?
1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene has a molecular weight of 340.51 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3aH-inden-1-yl)oct-7-en-2-yl]-3aH-indene is sourced from PubChem (CID 136880184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).