(2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

C22H42OSi — CID 101352758

IUPAC(2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCCCCCC1(C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1
InChIInChI=1S/C22H42OSi/c1-10-11-12-14-22(9)15-13-21(20(8)16-22)23-24(17(2)3,18(4)5)19(6)7/h13,15,17-19H,10-12,14,16H2,1-9H3
InChIKeyDVSHLUKVFROOMG-UHFFFAOYSA-N
MW350.66 g/mol
LogP8.00
Rot. Bonds9

About (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

(2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (PubChem CID 101352758) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
PubChem CID101352758
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name(2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCCCCCC1(C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1
InChIInChI=1S/C22H42OSi/c1-10-11-12-14-22(9)15-13-21(20(8)16-22)23-24(17(2)3,18(4)5)19(6)7/h13,15,17-19H,10-12,14,16H2,1-9H3
InChIKeyDVSHLUKVFROOMG-UHFFFAOYSA-N
XLogP8.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
CID 165362841
(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
CID 10617605
tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
CID 10905468
(2,4-Dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 11198863
trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane
CID 12723061
trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 134858958
tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane
CID 138964348
trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 10042537
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 5366575
tert-butyl-[(2E,7E)-4-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane
CID 10884955
trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane
CID 10923426
tert-butyl-dimethyl-[(2E,4Z,6E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoxy]silane
CID 21729900

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (CID 101352758) is (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is CCCCCC1(C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1.
What is the InChIKey of (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is DVSHLUKVFROOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OSi/c1-10-11-12-14-22(9)15-13-21(20(8)16-22)23-24(17(2)3,18(4)5)19(6)7/h13,15,17-19H,10-12,14,16H2,1-9H3.
What are the key properties of (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
(2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 350.66 g/mol, XLogP of 8.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101352758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).