1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene

C21H32 — CID 123864823

IUPAC1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC=C1CCC(=CC=C2CCCC3(C)C(C)CCC23)CC1C
InChIInChI=1S/C21H32/c1-15-7-9-18(14-16(15)2)10-11-19-6-5-13-21(4)17(3)8-12-20(19)21/h10-11,16-17,20H,1,5-9,12-14H2,2-4H3
InChIKeyICJNVMWOJBYTIF-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.45
Rot. Bonds1

About 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene

1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene (PubChem CID 123864823) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
PubChem CID123864823
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC=C1CCC(=CC=C2CCCC3(C)C(C)CCC23)CC1C
InChIInChI=1S/C21H32/c1-15-7-9-18(14-16(15)2)10-11-19-6-5-13-21(4)17(3)8-12-20(19)21/h10-11,16-17,20H,1,5-9,12-14H2,2-4H3
InChIKeyICJNVMWOJBYTIF-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4E)-1-[(E)-hept-3-en-2-yl]-7a-methyl-4-[(2Z)-2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143651881
(4E)-1,7a-dimethyl-4-[(2Z)-2-[(2R,3S,5S)-2,3,5-trimethylcyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 157093451
(4E)-1,7a-dimethyl-4-[(2Z)-2-[(3S,5S)-2,3,5-trimethylcyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 59079208
(5E)-5-[(2Z)-2-[(1S,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 59966631
(3aS)-1,7a-dimethyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142040574
(3Z,7E)-3a-methyl-3-(5-methylhexylidene)-7-[(2Z)-2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-1,2,4,5,6,7a-hexahydroindene
CID 143925025
(4E)-7a-ethyl-1-(6-methylheptan-2-yl)-4-[(2Z)-2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143831302
(4E)-4-[(2Z)-2-(3,5-dimethoxy-2-methylcyclohexylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 59887787
1-(6,6-dimethylhept-1-en-2-yl)-4-[2-(3,6-dimethyl-4-methylidenecycloheptylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 91000201
(4E)-4-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 20751368
(1R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 143861520
(4E)-1-(6,6-dimethylheptan-2-yl)-4-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 21337516

Frequently Asked Questions

What is the IUPAC name of 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene?
The IUPAC name of 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene (CID 123864823) is 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene?
The canonical SMILES for 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene is C=C1CCC(=CC=C2CCCC3(C)C(C)CCC23)CC1C.
What is the InChIKey of 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene?
The InChIKey is ICJNVMWOJBYTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-15-7-9-18(14-16(15)2)10-11-19-6-5-13-21(4)17(3)8-12-20(19)21/h10-11,16-17,20H,1,5-9,12-14H2,2-4H3.
What are the key properties of 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene?
1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene has a molecular weight of 284.49 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7a-dimethyl-4-[2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 123864823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).