1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene

C18H28 — CID 154692080

IUPAC1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene
SMILESC=CCC(C)(CC)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H28/c1-7-14-18(6,9-3)16-12-10-15(11-13-16)17(4,5)8-2/h7,10-13H,1,8-9,14H2,2-6H3
InChIKeyRLXPMVYKBBPSSE-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.62
Rot. Bonds6

About 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene

1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene (PubChem CID 154692080) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene
PubChem CID154692080
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene
SMILESC=CCC(C)(CC)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H28/c1-7-14-18(6,9-3)16-12-10-15(11-13-16)17(4,5)8-2/h7,10-13H,1,8-9,14H2,2-6H3
InChIKeyRLXPMVYKBBPSSE-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.62
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-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene
CID 23466878
1-iodo-4-(3-methylpentan-3-yl)benzene
CID 170407993
1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene
CID 142040309
1-(3-bromo-2-methylhex-5-en-3-yl)-4-tert-butylbenzene
CID 57289351
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612
1-(3-methylpentan-3-yl)-4-[(3E)-penta-1,3-dien-3-yl]benzene
CID 143318084
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
CID 66259187
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
4-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]aniline
CID 143498666
1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
CID 12066232
1-bromo-4-(3-methylhex-5-en-3-yl)naphthalene
CID 167063763

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene (CID 154692080) is 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene is C=CCC(C)(CC)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene?
The InChIKey is RLXPMVYKBBPSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-7-14-18(6,9-3)16-12-10-15(11-13-16)17(4,5)8-2/h7,10-13H,1,8-9,14H2,2-6H3.
What are the key properties of 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene?
1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene has a molecular weight of 244.42 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene is sourced from PubChem (CID 154692080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).