1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene

C21H34 — CID 163001074

IUPAC1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene
SMILESC=C(CCC(C)=CCCC(C)C1=CC=C(C)CC1)C(C)C
InChIInChI=1S/C21H34/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11,14,16,20H,5,7,9-10,12-13,15H2,1-4,6H3
InChIKeyWQNXRHFVOVHSCC-UHFFFAOYSA-N
MW286.50 g/mol
LogP7.01
Rot. Bonds8

About 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene

1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene (PubChem CID 163001074) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene
PubChem CID163001074
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene
SMILESC=C(CCC(C)=CCCC(C)C1=CC=C(C)CC1)C(C)C
InChIInChI=1S/C21H34/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11,14,16,20H,5,7,9-10,12-13,15H2,1-4,6H3
InChIKeyWQNXRHFVOVHSCC-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.01
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

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
CID 71404158
1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene
CID 101359840
1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
1-(5,6-dimethyldecan-2-yl)-4-methylcyclohexa-1,3-diene;praseodymium
CID 145474235
1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
CID 162899146
1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]benzene
CID 139586981
(2R,5E,9Z,11E)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
CID 10979097
(2R,5E,9E,11Z)-5,9-dimethyl-12-propan-2-yl-2-prop-1-en-2-yl-1-oxacyclotrideca-5,9,11-triene
CID 11822345
(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 162876231
1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 101380860
1-(1-fluorobutyl)-4-methylcyclohexa-1,3-diene
CID 143594050
(E)-N-but-2-enyl-5-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-2-propyloct-2-en-1-amine
CID 155207226

Frequently Asked Questions

What is the IUPAC name of 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene?
The IUPAC name of 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene (CID 163001074) is 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene is C=C(CCC(C)=CCCC(C)C1=CC=C(C)CC1)C(C)C.
What is the InChIKey of 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene?
The InChIKey is WQNXRHFVOVHSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11,14,16,20H,5,7,9-10,12-13,15H2,1-4,6H3.
What are the key properties of 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene?
1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene has a molecular weight of 286.50 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,10-dimethyl-9-methylideneundec-5-en-2-yl)-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163001074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).