(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene

C34H40 — CID 58674024

IUPAC(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene
SMILESC=C(C)Cc1ccc(C2C(C(=C)CCC)=C(C)C=C3C/C(=C/C4=CC=CC4)C(=C)C32)cc1CC
InChIInChI=1S/C34H40/c1-8-12-23(5)32-24(6)18-31-21-30(19-26-13-10-11-14-26)25(7)33(31)34(32)29-16-15-28(17-22(3)4)27(9-2)20-29/h10-11,13,15-16,18-20,33-34H,3,5,7-9,12,14,17,21H2,1-2,4,6H3/b30-19-
InChIKeyHLJUXZMXMMVWGB-FSGOGVSDSA-N
MW448.69 g/mol
LogP9.45
Rot. Bonds8

About (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene

(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene (PubChem CID 58674024) has the molecular formula C34H40 and a molecular weight of 448.69 g/mol. Its IUPAC name is (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene.

Molecular Properties

Compound Name(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene
PubChem CID58674024
Molecular FormulaC34H40
Molecular Weight448.69 g/mol
Exact Mass448.31
IUPAC Name(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene
SMILESC=C(C)Cc1ccc(C2C(C(=C)CCC)=C(C)C=C3C/C(=C/C4=CC=CC4)C(=C)C32)cc1CC
InChIInChI=1S/C34H40/c1-8-12-23(5)32-24(6)18-31-21-30(19-26-13-10-11-14-26)25(7)33(31)34(32)29-16-15-28(17-22(3)4)27(9-2)20-29/h10-11,13,15-16,18-20,33-34H,3,5,7-9,12,14,17,21H2,1-2,4,6H3/b30-19-
InChIKeyHLJUXZMXMMVWGB-FSGOGVSDSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 59.45
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 (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
The IUPAC name of (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene (CID 58674024) is (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene.
What is the SMILES notation for (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
The canonical SMILES for (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene is C=C(C)Cc1ccc(C2C(C(=C)CCC)=C(C)C=C3C/C(=C/C4=CC=CC4)C(=C)C32)cc1CC.
What is the InChIKey of (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
The InChIKey is HLJUXZMXMMVWGB-FSGOGVSDSA-N. The full InChI is InChI=1S/C34H40/c1-8-12-23(5)32-24(6)18-31-21-30(19-26-13-10-11-14-26)25(7)33(31)34(32)29-16-15-28(17-22(3)4)27(9-2)20-29/h10-11,13,15-16,18-20,33-34H,3,5,7-9,12,14,17,21H2,1-2,4,6H3/b30-19-.
What are the key properties of (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene has a molecular weight of 448.69 g/mol, XLogP of 9.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-4-[3-ethyl-4-(2-methylprop-2-enyl)phenyl]-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58674024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).