10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane

C28H48 — CID 123419087

IUPAC10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane
SMILESC=C1CC(C)CC2C(C(C)CC)CC3CC(C)C3(C3CC23)C(CC)C(C)(C)C1
InChIInChI=1S/C28H48/c1-9-19(5)22-14-21-13-20(6)28(21)25-15-24(25)23(22)12-17(3)11-18(4)16-27(7,8)26(28)10-2/h17,19-26H,4,9-16H2,1-3,5-8H3
InChIKeyXZRNJNUNILKYSI-UHFFFAOYSA-N
MW384.69 g/mol
LogP8.38
Rot. Bonds3

About 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane

10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane (PubChem CID 123419087) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane.

Molecular Properties

Compound Name10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane
PubChem CID123419087
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane
SMILESC=C1CC(C)CC2C(C(C)CC)CC3CC(C)C3(C3CC23)C(CC)C(C)(C)C1
InChIInChI=1S/C28H48/c1-9-19(5)22-14-21-13-20(6)28(21)25-15-24(25)23(22)12-17(3)11-18(4)16-27(7,8)26(28)10-2/h17,19-26H,4,9-16H2,1-3,5-8H3
InChIKeyXZRNJNUNILKYSI-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 58.38
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

Bicyclo[5.2.0]nonane, 4,8,8-trimethyl-2-methylene-
CID 564732
7-[2-[3-(1,3-Dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane
CID 91225068
9-[(3E)-3-ethylidene-2,5,6-trimethylheptyl]-8-methyltricyclo[6.2.0.02,4]decane
CID 91508592
1-[7-(1-Butylcyclopropyl)octyl]-1,2,4-trimethyl-3-prop-1-en-2-ylcyclobutane
CID 123226424
4'-Ethyl-2,3,6'-trimethyl-8'-(3-methylidenepentan-2-yl)-4'-(3-methyl-2-propan-2-ylbutyl)spiro[cyclopropane-1,9'-tricyclo[6.1.1.03,5]decane]
CID 123231886
1-Methyl-3-methylidenebicyclo[5.1.0]octane
CID 123439793
1-(5,6-Dimethylheptyl)-2-prop-1-en-2-ylspiro[2.3]hexane
CID 123461498
1-(2-Cyclopropylpropyl)-4-ethyl-5-methyl-1-(3-methylbut-3-en-2-yl)cyclooctane
CID 123589543
2-(7,8-Dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane
CID 123672686
1-Ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane
CID 123685267
5-Ethyl-1,6-dimethyl-8-methylidenebicyclo[5.1.0]octane
CID 124007999
1-Ethyl-1-methyl-2-[2-[2-(4-methylhept-1-en-2-yl)cyclopropyl]ethyl]cyclobutane
CID 124029623

Frequently Asked Questions

What is the IUPAC name of 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane?
The IUPAC name of 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane (CID 123419087) is 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane.
What is the SMILES notation for 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane?
The canonical SMILES for 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane is C=C1CC(C)CC2C(C(C)CC)CC3CC(C)C3(C3CC23)C(CC)C(C)(C)C1.
What is the InChIKey of 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane?
The InChIKey is XZRNJNUNILKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-9-19(5)22-14-21-13-20(6)28(21)25-15-24(25)23(22)12-17(3)11-18(4)16-27(7,8)26(28)10-2/h17,19-26H,4,9-16H2,1-3,5-8H3.
What are the key properties of 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane?
10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane has a molecular weight of 384.69 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butan-2-yl-2-ethyl-3,3,7,14-tetramethyl-5-methylidenetetracyclo[7.5.3.01,12.015,17]heptadecane is sourced from PubChem (CID 123419087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).