3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane

C41H82 — CID 123401956

IUPAC3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
SMILESCCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C1CC1
InChIInChI=1S/C41H82/c1-20-23(2)24(3)25(4)26(5)27(6)28(7)29(8)30(9)31(10)32(11)33(12)34(13)35(14)36(15)37(16)38(17)39(18)40(19)41-21-22-41/h23-41H,20-22H2,1-19H3
InChIKeyBRSZYFOGBHHDFO-UHFFFAOYSA-N
MW575.11 g/mol
LogP13.26
Rot. Bonds19

About 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane

3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane (PubChem CID 123401956) has the molecular formula C41H82 and a molecular weight of 575.11 g/mol. Its IUPAC name is 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane.

Molecular Properties

Compound Name3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
PubChem CID123401956
Molecular FormulaC41H82
Molecular Weight575.11 g/mol
Exact Mass574.64
IUPAC Name3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
SMILESCCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C1CC1
InChIInChI=1S/C41H82/c1-20-23(2)24(3)25(4)26(5)27(6)28(7)29(8)30(9)31(10)32(11)33(12)34(13)35(14)36(15)37(16)38(17)39(18)40(19)41-21-22-41/h23-41H,20-22H2,1-19H3
InChIKeyBRSZYFOGBHHDFO-UHFFFAOYSA-N
XLogP13.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.11
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
3,4,5-trimethylhexan-2-ylcyclopropane
CID 91122499
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
CID 162191243
2-(3,4,5-trimethylheptan-2-yl)bicyclo[2.2.0]hexane
CID 123639406
1-ethyl-2-(3,4,5-trimethylheptan-2-yl)cyclopropane
CID 123142246
3-cyclopropylpentan-2-ylcyclopentane
CID 90913708
(3S)-3-cyclopropylbutan-2-ol
CID 175219475
(4S)-2,3,4-trimethylhexane
CID 58359072
(1-chloro-2-methylbutyl)cycloheptane
CID 130480756
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
(3R)-4,5-dimethylheptan-3-amine
CID 163978078

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane?
The IUPAC name of 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane (CID 123401956) is 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane.
What is the SMILES notation for 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane?
The canonical SMILES for 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane is CCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C1CC1.
What is the InChIKey of 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane?
The InChIKey is BRSZYFOGBHHDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H82/c1-20-23(2)24(3)25(4)26(5)27(6)28(7)29(8)30(9)31(10)32(11)33(12)34(13)35(14)36(15)37(16)38(17)39(18)40(19)41-21-22-41/h23-41H,20-22H2,1-19H3.
What are the key properties of 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane?
3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane has a molecular weight of 575.11 g/mol, XLogP of 13.26, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane is sourced from PubChem (CID 123401956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).